| SpectraBase Spectrum ID |
EYjSYBrfqiy |
| Name |
6-Hexadecenoic acid, 7-methyl,methyl ester (E) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15+ |
| InChIKey |
OQDOMEGWVNDDSV-BMRADRMJSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C(OC)(CCCC\C=C\(CCCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967551 |
