| SpectraBase Spectrum ID |
8f0vM8AkC5o |
| Name |
Trans-o-coumaric acid, o-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.068473481 u |
| Formula |
C12H12O5 |
| InChI |
InChI=1S/C12H12O5/c1-15-11(13)8-7-9-5-3-4-6-10(9)17-12(14)16-2/h3-8H,1-2H3/b8-7+ |
| InChIKey |
KHTIGWIYPLPHDP-BQYQJAHWSA-N |
| Molecular Weight |
236.223 g/mol |
| SMILES |
C(\C=C\C1=C(OC(OC)=O)C=CC=C1)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978665 |
