| SpectraBase Spectrum ID |
A1crW7ONBgq |
| Name |
2-(2-Ketochromen-3-yl)benzoic acid methyl ester |
| 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/c1-20-16(18)13-8-4-3-7-12(13)14-10-11-6-2-5-9-15(11)21-17(14)19/h2-10H,1H3 |
| InChIKey |
HRQMNZXTNMKJCD-UHFFFAOYSA-N |
| SMILES |
C=1(C(OC=2C(C1)=CC=CC2)=O)C=1C(C(=O)OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923483 |
