| SpectraBase Spectrum ID |
F6jZ4xbaaVz |
| Name |
4-Chloro-4'-hydroxybenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.005018956 u |
| Formula |
C17H8ClF7O3 |
| InChI |
InChI=1S/C17H8ClF7O3/c18-11-5-1-9(2-6-11)13(26)10-3-7-12(8-4-10)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
| InChIKey |
HOYYQLYKFYINFM-UHFFFAOYSA-N |
| Molecular Weight |
428.690 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97327 |
