| SpectraBase Spectrum ID |
1gHPqHNFEwF |
| Name |
(2Z)-2-(Phenylmethylene)-3-butenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h3,5-10H,1,4H2,2H3/b12-10- |
| InChIKey |
BAQFABFIKBOLQU-BENRWUELSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C(\C(=C/C1=CC=CC=C1)C=C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974511 |
