Methyl 12-oxooctadecanoate
Compound with spectra: 3 NMR, 2 FTIR, and 2 MS (GC)
| SpectraBase Compound ID | 6PsTH7Im7Ge |
|---|---|
| InChI | InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3 |
| InChIKey | XVSPEBNRFAFNAV-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C19H36O3 |
| Exact Mass | 312.266445 g/mol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Va-0-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-8053-0-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | 303356 |
| Solvent | CDCl3 |
| 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 | 303356 |
| 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 | 303356 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 303356 |
| Technique | Melt |
- Octadecanoic acid, 12-oxo-, methyl ester
14-oxoeicosanoic acid, methyl ester
Docosanoic acid, 13-oxo-, methyl ester
Methyl 17-oxotetratriacontanoate
Eicosanoic acid, 11-oxo-, methyl ester
METHYL-11-OXO-OCTADECANOATE
Hexacosanoic acid, 9-oxo-, methyl ester
METHYL-13-OXO-OCTADECANOATE
HEPTADECANOIC ACID, 12-OXO-, METHYL ESTER
Eicosanoic acid, 15-oxo-, methyl ester
Docosanoic acid, 17-oxo-, methyl ester
| Title | Journal or Book | Year |
|---|---|---|
| Deuterium isotope effects and assignment of 13C chemical shifts in spectra of methyl octadecanoate and the sixteen isomeric oxooctadecanoates | Canadian Journal of Chemistry | 1977 |
Wiley Registry of Mass Spectral Data 12th Edition
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.