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n-Heptane
SpectraBase Compound ID F6dQw2iZVxu
InChI InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N
Mol Weight 100.2 g/mol
Molecular Formula C7H16
Exact Mass 100.125201 g/mol
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Technique NEAT
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Source of Spectrum Forensic Spectral Research
Catalog Number O-733
Technique Neat
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Source of Sample Petrolite Corporation, Bareco Division
Technique MELT (CRYSTALLINE PHASE)
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Source of Sample Sigma
Technique Layer between KBr
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Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique NEAT
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Source of Sample Humble Oil & Refining Company
Technique A: BETWEEN SALTS; B: 0.10MM CELL
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Source of Sample Skelly Oil Company
Technique A: BETWEEN SALTS; B: 0.10MM CELL
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique CAPILLARY CELL: NEAT
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Catalog Number 154873
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154873
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Source of Spectrum Prof. Buback, University of Goettingen, Germany
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Source of Spectrum Prof. Buback, University of Goettingen, Germany
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Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
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Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample Sigma-Aldrich Cat. #49452-U
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Copyright © 2016-2025  John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Cat. #49452-U
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum HE-1982-0-0
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Source of Spectrum HE-1982-0-0
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Source of Spectrum NW-2287-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F9-1985-582-0
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Source of Spectrum F9-1985-582-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F9-1985-582-0
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Source of Spectrum AA-0-262-1
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Source of Spectrum Va-0-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-98-217-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-98-217-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-98-217-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-98-217-0
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Source of Spectrum KF-98-217-0
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Source of Spectrum NP-16-5060-0
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Source of Spectrum PR-894-0-0
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Source of Spectrum AD-0-4309-0
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Source of Spectrum PG-1982-72-0
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Source of Spectrum AD-0-4137-0
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Source of Spectrum LQ-1992-250-0
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Source of Spectrum O-13-411-1
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Source of Spectrum EP-6582-0-0
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Source of Spectrum O-21-602-4
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Source of Spectrum SRH-2022-5321-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-8568-0
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Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent DIOXANE
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Source of Sample Petrolite Corporation, Bareco Division, Tulsa, Oklahoma
Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent Dioxane
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE
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Solvent NEAT
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154873
Solvent CDCl3
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Solvent CCl4
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154873
Solvent CDCl3
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
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Source of Sample Sigma-Aldrich
Catalog Number 154873
Copyright Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 154873
  • Heptane
  • Heptyl hydride
  • Dipropylmethane
  • Heptan
  • N-HEPTAN
  • Skellysolve C
  • BE SQUARE 195 WHITE WAX
  • Heptanen
  • HEPTANE-1,1,7-D3
  • Gettysolve-C
  • Eptani
  • Exxsol heptane
  • HEPTANES
  • HSDB 90
  • N-C7H16
  • EINECS 205-563-8
  • NSC 62784
  • UN1206
  • AI3-28784
Title Journal or Book Year
13C-NMR studies of polyfluorinated hydrocarbons, carboxylic acid derivatives, alcohols and ethers Journal of Fluorine Chemistry 1981
Analysis of 13C nuclear magnetic resonance chemical shifts of acyclic hydrocarbons Canadian Journal of Chemistry 1980
Conformational and configurational analysis of hydrocarbon chains based on time-averaged carbon-13 chemical shifts Canadian Journal of Chemistry 1977
Intrinsic carbon-13 NMR solvent shifts in hydrocarbons. Relevance of long range substituent parameters Organic Magnetic Resonance 1974
Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 Analytical Chemistry 1971

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