| SpectraBase Spectrum ID |
H4cfnouwZ84 |
| Name |
2',5-Dichloro-2-hydroxybenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.966046623 u |
| Formula |
C17H7Cl2F7O3 |
| InChI |
InChI=1S/C17H7Cl2F7O3/c18-8-5-6-12(10(7-8)13(27)9-3-1-2-4-11(9)19)29-14(28)15(20,21)16(22,23)17(24,25)26/h1-7H |
| InChIKey |
YGYLYOBGJZCXQX-UHFFFAOYSA-N |
| Molecular Weight |
463.135 g/mol |
| SMILES |
C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=CC(=C1)Cl)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903265 |
