SpectraBase Spectrum ID |
EGrvTlLrAB3 |
Name |
3-[Hydroxy(phenyl)methyl]-1-benzopyran-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.078644243 u |
Formula |
C16H12O3 |
InChI |
InChI=1S/C16H12O3/c17-15(11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(14)16(13)18/h1-10,15,17H |
InChIKey |
OWQXJFPRJHARDA-UHFFFAOYSA-N |
Molecular Weight |
252.269 g/mol |
SMILES |
C=1(C(C=2C=CC=CC2OC1)=O)C(C1=CC=CC=C1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94912 |