SpectraBase Spectrum ID |
23hDdCQ5n3u |
Name |
Methyl (3-hydroxy-2-methoxycarbonylphenyl)acetate |
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/c1-15-9(13)6-7-4-3-5-8(12)10(7)11(14)16-2/h3-5,12H,6H2,1-2H3 |
InChIKey |
ZGLSOAWVGYBBBO-UHFFFAOYSA-N |
Molecular Weight |
224.212 g/mol |
SMILES |
C1(=C(C=CC=C1O)CC(OC)=O)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987711 |