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2-Methylpentane
SpectraBase Compound ID 7XTQ0W1R1tC
InChI InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey AFABGHUZZDYHJO-UHFFFAOYSA-N
Mol Weight 86.18 g/mol
Molecular Formula C6H14
Exact Mass 86.10955 g/mol
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent CDCl3; Reference=TMS; Temperature 297K
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Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent CCl4
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M65807
Solvent CDCl3
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique NEAT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Technique NEAT
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Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M65807
Technique Neat
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M65807
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HE-1982-0-0
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Source of Spectrum HE-1982-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NW-2266-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NW-2265-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-149-1
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Source of Spectrum AA-0-148-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-952-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum XW-493-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-1767-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-338-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F9-1985-582-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-1850-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-8569-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
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Solvent CDCL3
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Dioxane
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Dioxane
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CDCl3
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Solvent C2H2Cl4
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Solvent C2H2Cl4
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Solvent CDCl3
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Solvent Neat liquid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE
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Solvent NEAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
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Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M65807
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number M65807
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 190985
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 190993
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 191000
  • Isohexane
  • Dimethylpropylmethane
  • 2-METHYLPENTAN
  • 2-METHYLPENTAN,(ISOHEXAN)
  • BETA-C-C-GAMMA-2-METHYL-2-PENTYL-CATION
  • BETA-C-H-GAMMA-2-METHYL-2-PENTYL-CATION
  • Pentane 2-methyl
  • Poly(4-methyl-1-pentene), high molecular weight
  • Poly(4-methyl-1-pentene), low molecular weight
  • Poly(4-methyl-1-pentene), medium molecular weight
  • 'Isohexane'
Title Journal or Book Year
Predictions of 13C chemical shifts in carbocations. The use of scaled chemical shifts calculated using GIAO DFT methods † Journal of the Chemical Society, Perkin Transactions 2 1999
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
Application of carbon-13 nuclear magnetic resonance spectroscopy to the analysis of charge distribution patterns in unsaturated carbonyl-containing compounds Journal of the American Chemical Society 1976
Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 Analytical Chemistry 1971
Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes Journal of the American Chemical Society 1964

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