| SpectraBase Spectrum ID |
6yuiZOF2fnd |
| Name |
8-Methoxycoumarin-3-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.052823417 u |
| Formula |
C12H10O5 |
| InChI |
InChI=1S/C12H10O5/c1-15-9-5-3-4-7-6-8(11(13)16-2)12(14)17-10(7)9/h3-6H,1-2H3 |
| InChIKey |
BRNVLTHNZLNVJJ-UHFFFAOYSA-N |
| Molecular Weight |
234.207 g/mol |
| SMILES |
C1=C(OC)C=2OC(=O)C(=CC2C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983087 |
