| SpectraBase Spectrum ID |
EfEpr9DJI9V |
| Name |
(E)-3-(1-Cyclohexenyl)-2-propenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h5,7-8H,2-4,6H2,1H3/b8-7+ |
| InChIKey |
PFSRAWZVXMRECH-BQYQJAHWSA-N |
| Molecular Weight |
166.220 g/mol |
| SMILES |
C1(\C=C\C(=O)OC)=CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932015 |
