1-Chlorobutane
Compound with spectra: 33 NMR, 12 FTIR, 1 Raman, 15 MS (GC), and 2 Near IR
| SpectraBase Compound ID | 911DnhUrYXL |
|---|---|
| InChI | InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
| Mol Weight | 92.57 g/mol |
| Molecular Formula | C4H9Cl |
| Exact Mass | 92.039278 g/mol |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO |
| Solvent | CCl4 |
| 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 | 125008 |
| Solvent | CDCl3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
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| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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| 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 | 125008 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | Merck-Schuchardt Hohenbrunn |
| Technique | Cell |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | Huels |
| Technique | Layer between CsI |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka |
| Technique | Layer between KBr |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
| Technique | NEAT |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The Matheson Company, Inc., Matheson Coleman & Bell |
| Technique | 0.01MM CELL |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO |
| Technique | CAPILLARY CELL: 0.015 MM |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 125008 |
| Technique | Neat |
| 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 © 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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-5282-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-187-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | PG-1982-1704-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-1924-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-1821-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | US7880049B2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-16-4409-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-0-1177-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-388-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-187-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-1989-58835-6701 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-417-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. Merck AG, Darmstadt, Germany |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | TC |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 | 125008 |
| 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 | Sigma-Aldrich |
| Catalog Number | 414255 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 125008 |
- Butylchloride
- n-Butyl chloride
- n-Propylcarbonyl chloride
- Butane, 1-chloro-
- BUTANE, 1-CHLORO-, GAS
- VFWCMGCRMGJXDK-UHFFFAOYSA-N
- 1-BUTYLCHLORIDE
- 1-Chlorobutane, butylchloride
| Title | Journal or Book | Year |
|---|---|---|
| Nature of substituent effects in nuclear magnetic resonance spectroscopy. 1. Factor analysis of carbon-13 chemical shifts in aliphatic halides | The Journal of Organic Chemistry | 1980 |
This compound is available in the following databases:
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.