SpectraBase Spectrum ID |
K3ZffngbXQx |
Name |
1,2-Benzenediol, o-(4-chlorobenzoyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.024021847 u |
Formula |
C13H9ClO3 |
InChI |
InChI=1S/C13H9ClO3/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8,15H |
InChIKey |
FMKLAJVZCRQXIX-UHFFFAOYSA-N |
Molecular Weight |
248.665 g/mol |
SMILES |
C1(=CC=C(C=C1)C(OC1=CC=CC=C1O)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900481 |