| SpectraBase Spectrum ID |
IMewQVn40uf |
| Name |
2-Hydroxy-5-bromobenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.954504256 u |
| Formula |
C17H8BrF7O3 |
| InChI |
InChI=1S/C17H8BrF7O3/c18-10-6-7-12(11(8-10)13(26)9-4-2-1-3-5-9)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
| InChIKey |
ZJWLZXZGLVKHTO-UHFFFAOYSA-N |
| Molecular Weight |
473.141 g/mol |
| SMILES |
C1(Br)=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911599 |
