| SpectraBase Spectrum ID |
FBfXysQjbTA |
| Name |
Trans-p-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)8-5-9-3-6-10(7-4-9)17-12(14)16-2/h3-8H,1-2H3/b8-5+ |
| InChIKey |
LQFMVUNKIZOLOR-VMPITWQZSA-N |
| Molecular Weight |
236.223 g/mol |
| SMILES |
C(\C=C\C1=CC=C(C=C1)OC(OC)=O)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971617 |
