| SpectraBase Spectrum ID |
6eJDcPY8hcl |
| Name |
Trans-o-coumaric acid, o-ethoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-3-17-13(15)18-11-7-5-4-6-10(11)8-9-12(14)16-2/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey |
HVCSJIUAIVUSTG-CMDGGOBGSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)OC)OC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934216 |
