| SpectraBase Spectrum ID |
E2dxCgNM9sf |
| Name |
3-Octenoic acid, 2-ethylidene-, methyl ester, (E,Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h5,8-9H,4,6-7H2,1-3H3/b9-8-,10-5+ |
| InChIKey |
XJKHXAHJRLEVIK-JMJQRBITSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C(\C(\C=C/CCCC)=C\C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976454 |
