| SpectraBase Spectrum ID |
5WYaM6Qy03j |
| Name |
4-Methoxycarbonylmethoxy-benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-14-10(12)7-16-9-5-3-8(4-6-9)11(13)15-2/h3-6H,7H2,1-2H3 |
| InChIKey |
KNKLWCHCJYAQKD-UHFFFAOYSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
C(C1=CC=C(C=C1)OCC(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974622 |
