3-Methylheptane
Compound with open access spectra: 13 NMR, 6 FTIR, 1 Raman, and 11 MS
| SpectraBase Compound ID | LJssFFDnZDo |
|---|---|
| InChI | InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 |
| InChIKey | LAIUFBWHERIJIH-UHFFFAOYSA-N |
| Mol Weight | 114.23 g/mol |
| Molecular Formula | C8H18 |
| Exact Mass | 114.140851 g/mol |
| Copyright | Copyright © 1989, 1990-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | K. Weiss, Laboratorium fuer Anorganische Chemie, Universitaet Bayreuth |
| Technique | film between KBr |
| Copyright | Copyright © 1989, 1990-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka |
| Technique | layer between KBr |
| Copyright | Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L12006 |
| Technique | Neat |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2021 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2021 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-412-2 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | HE-1982-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-0-4179-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-2355-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-2354-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | PR-939-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-6585-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | IC-88-0-0 |
| Copyright | Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | F9-1985-582-0 |
| Copyright | Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DI |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Dioxane |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 chloroform-d |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Dioxane |
| Copyright | Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2021 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 | M47957 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Ipatieff Laboratory, Northwestern University, Chicago, Illinois |
| Solvent | CCl4 |
| Copyright | Copyright © 2021 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 | M47957 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2017-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L12006 |
| Copyright | Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L12006 |
| Copyright | Copyright © 2018-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | M47957 |
| Copyright | Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
- 3-METHYLHEPTAN
- Heptane, 3-methyl-
- 1-DEUTERO-3-DEUTEROMETHYLHEPTANE
- POLY(1-BUTYLETHYLENE)
| Title | Journal or Book | Year |
|---|---|---|
| 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 |
| Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 | Analytical Chemistry | 1971 |