| SpectraBase Spectrum ID |
FOzaZvwBffs |
| Name |
6-Benzoyl-5-oxo-2,7-dioxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.063388100 u |
| Formula |
C15H12O6 |
| InChI |
InChI=1S/C15H12O6/c1-2-19-13(18)10-8-11(16)15(14(20-10)21-15)12(17)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3 |
| InChIKey |
DSVOULOMWRKSRO-UHFFFAOYSA-N |
| SMILES |
C=1C(=CC=CC1)C(C12C(C=C(OC2O1)C(OCC)=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.891624 |
![6-Benzoyl-5-oxo-2,7-dioxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, ethyl ester](/api/spectrum/FOzaZvwBffs/structure.png?h=300&w=458 "6-Benzoyl-5-oxo-2,7-dioxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, ethyl ester")
