SpectraBase Spectrum ID |
4wDotC4VgK8 |
Name |
5-Methoxycoumarin-3-carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.037173353 u |
Formula |
C11H8O5 |
InChI |
InChI=1S/C11H8O5/c1-15-8-3-2-4-9-6(8)5-7(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13) |
InChIKey |
WWMUWCJDRURRHP-UHFFFAOYSA-N |
Molecular Weight |
220.180 g/mol |
SMILES |
C=1(C(OC2=C(C1)C(OC)=CC=C2)=O)C(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986717 |