| SpectraBase Spectrum ID |
LxB8c2mhlys |
| Name |
4-Benzoyl-7-methoxy-1-benzopyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.073558862 u |
| Formula |
C17H12O4 |
| InChI |
InChI=1S/C17H12O4/c1-20-12-7-8-13-14(10-16(18)21-15(13)9-12)17(19)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChIKey |
OPTLVOFYXZGDAI-UHFFFAOYSA-N |
| SMILES |
C=1(C=2C(=CC(=CC2)OC)OC(C1)=O)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896542 |
