| SpectraBase Spectrum ID |
F414jSargFn |
| Name |
4-Hydroxybenzoic 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 |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-3-15-11(13)16-9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey |
KGOBOWLWEJPKQF-UHFFFAOYSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
C1=CC(=CC=C1C(=O)OC)OC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965075 |
