| SpectraBase Spectrum ID |
2j3tWq4m0pC |
| Name |
3-Octenoic acid, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.208930140 u |
| Formula |
C15H28O2 |
| InChI |
InChI=1S/C15H28O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3/b11-9+ |
| InChIKey |
UVNAAJIDJCCSLH-PKNBQFBNSA-N |
| Molecular Weight |
240.387 g/mol |
| SMILES |
C(\C=C\CCCC)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972948 |
