| SpectraBase Spectrum ID |
CtgNk4KxMQO |
| Name |
(3-Bromo-5-chloro-2-hydroxyphenyl)(phenyl)methanone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.915531923 u |
| Formula |
C17H7BrClF7O3 |
| InChI |
InChI=1S/C17H7BrClF7O3/c18-11-7-9(19)6-10(12(27)8-4-2-1-3-5-8)13(11)29-14(28)15(20,21)16(22,23)17(24,25)26/h1-7H |
| InChIKey |
JAPIILLTWZCLPR-UHFFFAOYSA-N |
| Molecular Weight |
507.586 g/mol |
| SMILES |
C1(Br)=C(C(=CC(=C1)Cl)C(=O)C1=CC=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935405 |
