| SpectraBase Spectrum ID |
KB8aCCZYtO1 |
| Name |
(3-Bromo-5-chloro-2-hydroxyphenyl)(phenyl)methanone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.950184879 u |
| Formula |
C15H10BrClO3 |
| InChI |
InChI=1S/C15H10BrClO3/c1-9(18)20-15-12(7-11(17)8-13(15)16)14(19)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey |
QBCXDGOEUVACLG-UHFFFAOYSA-N |
| Molecular Weight |
353.599 g/mol |
| SMILES |
C1(Br)=C(C(=CC(=C1)Cl)C(=O)C1=CC=CC=C1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928558 |
