| SpectraBase Spectrum ID |
2NCu75IFk4 |
| Name |
(Z)-6-Methyl-12-heptadecenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.271530397 u |
| Formula |
C19H36O2 |
| InChI |
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-15-18(2)16-13-14-17-19(20)21-3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7- |
| InChIKey |
BCZRKESWYSQESZ-FPLPWBNLSA-N |
| SMILES |
CCCC\C=C/CCCCCC(CCCCC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88689 |
