| SpectraBase Spectrum ID |
JUkfOkUJqYH |
| Name |
2H-1-Benzopyran-2-one, 7-(benzoyloxy)-3-(4-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.050236595 u |
| Formula |
C22H13ClO4 |
| InChI |
InChI=1S/C22H13ClO4/c23-17-9-6-14(7-10-17)19-12-16-8-11-18(13-20(16)27-22(19)25)26-21(24)15-4-2-1-3-5-15/h1-13H |
| InChIKey |
ZVVHNYCOKXZGGX-UHFFFAOYSA-N |
| Molecular Weight |
376.795 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)C1=CC2=CC=C(C=C2OC1=O)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944448 |
