SpectraBase Spectrum ID |
BYtkGtiEgvi |
Name |
o-Benzoylbenzoic acid, ester with 4'-chloro-2-hydroxyacetophenone |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
378.065886659 u |
Formula |
C22H15ClO4 |
InChI |
InChI=1S/C22H15ClO4/c23-17-12-10-15(11-13-17)20(24)14-27-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2 |
InChIKey |
RDYKRGOYXBSXHR-UHFFFAOYSA-N |
Molecular Weight |
378.811 g/mol |
SMILES |
C1=C(C(=CC=C1)C(OCC(C=1C=CC(=CC1)Cl)=O)=O)C(=O)C1=CC=CC=C1 |