| SpectraBase Spectrum ID |
7A03EILnonk |
| Name |
Benzeneacetic acid, alpha-(hydroxymethylene)-, methyl- ester, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.062994179 u |
| Formula |
C10H10O3 |
| InChI |
InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,11H,1H3/b9-7- |
| InChIKey |
GOCBVHULKMGJSR-CLFYSBASSA-N |
| Molecular Weight |
178.187 g/mol |
| SMILES |
O\C=C\(C1=CC=CC=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.974951 |
