| SpectraBase Spectrum ID |
9SjYSUULEEp |
| Name |
2-Octenoic acid, 2-hexyl-, methyl ester, (Z)- |
| 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/c1-4-6-8-10-12-14(15(16)17-3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12- |
| InChIKey |
PIHIULQGFVAZON-OWBHPGMISA-N |
| Molecular Weight |
240.387 g/mol |
| SMILES |
C(\C(=C/CCCCC)CCCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928617 |
