| SpectraBase Spectrum ID |
7Bq8wnonbbz |
| Name |
3-Ethoxycarbonyl-4-hydroxy-6-methoxycoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.063388100 u |
| Formula |
C13H12O6 |
| InChI |
InChI=1S/C13H12O6/c1-3-18-12(15)10-11(14)8-6-7(17-2)4-5-9(8)19-13(10)16/h4-6,14H,3H2,1-2H3 |
| InChIKey |
XRLBSNSRPHSJDO-UHFFFAOYSA-N |
| Molecular Weight |
264.233 g/mol |
| SMILES |
C1(=CC=C2C(=C1)C(=C(C(O2)=O)C(OCC)=O)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817743 |
