| SpectraBase Spectrum ID |
4JvyFBqcEO2 |
| Name |
(3-Bromo-5-chloro-2-hydroxyphenyl)(phenyl)methanone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.921919271 u |
| Formula |
C15H7BrClF3O3 |
| InChI |
InChI=1S/C15H7BrClF3O3/c16-11-7-9(17)6-10(12(21)8-4-2-1-3-5-8)13(11)23-14(22)15(18,19)20/h1-7H |
| InChIKey |
QCAHIVZTESSRPP-UHFFFAOYSA-N |
| Molecular Weight |
407.570 g/mol |
| SMILES |
C1(Br)=C(C(=CC(=C1)Cl)C(=O)C1=CC=CC=C1)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937107 |
