| SpectraBase Spectrum ID |
3gKcDIzyN7C |
| Name |
(2-Bromophenyl)(3,5-dichloro-2-hydroxyphenyl)methanone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.882946939 u |
| Formula |
C15H6BrCl2F3O3 |
| InChI |
InChI=1S/C15H6BrCl2F3O3/c16-10-4-2-1-3-8(10)12(22)9-5-7(17)6-11(18)13(9)24-14(23)15(19,20)21/h1-6H |
| InChIKey |
LPWGEJCSDHHIDF-UHFFFAOYSA-N |
| Molecular Weight |
442.015 g/mol |
| SMILES |
C1(Br)=C(C=CC=C1)C(=O)C1=C(C(=CC(=C1)Cl)Cl)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903202 |
