| SpectraBase Spectrum ID |
LYRjVQHQVD7 |
| Name |
2-Heptenoic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.318480590 u |
| Formula |
C22H42O2 |
| InChI |
InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24-22(23)20-18-8-6-4-2/h18,20H,3-17,19,21H2,1-2H3/b20-18+ |
| InChIKey |
MNKUQIGXHBMCJK-CZIZESTLSA-N |
| Molecular Weight |
338.576 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCCCCCCC)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932243 |
