| SpectraBase Spectrum ID |
84O2ttvepfW |
| Name |
3-Carbethoxy-7-hydroxycoumarin, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.063388100 u |
| Formula |
C14H12O6 |
| InChI |
InChI=1S/C14H12O6/c1-3-18-13(16)11-6-9-4-5-10(19-8(2)15)7-12(9)20-14(11)17/h4-7H,3H2,1-2H3 |
| InChIKey |
SKVJGNVETVRDTL-UHFFFAOYSA-N |
| Molecular Weight |
276.244 g/mol |
| SMILES |
C1(OC(=O)C)=CC=C2C(OC(C(C(OCC)=O)=C2)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952742 |
