| SpectraBase Spectrum ID |
HbuQQkUhvd2 |
| Name |
(3-Bromo-5-chloro-2-hydroxyphenyl)(phenyl)methanone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.918725597 u |
| Formula |
C16H7BrClF5O3 |
| InChI |
InChI=1S/C16H7BrClF5O3/c17-11-7-9(18)6-10(12(24)8-4-2-1-3-5-8)13(11)26-14(25)15(19,20)16(21,22)23/h1-7H |
| InChIKey |
VJTKNNNPYZJHMX-UHFFFAOYSA-N |
| Molecular Weight |
457.578 g/mol |
| SMILES |
C1(Br)=C(C(=CC(=C1)Cl)C(=O)C1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962782 |
