| SpectraBase Spectrum ID |
LGhMuS8yHy5 |
| Name |
2-Chloro-2'-hydroxy-4'-methylbenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.020669020 u |
| Formula |
C18H10ClF7O3 |
| InChI |
InChI=1S/C18H10ClF7O3/c1-9-6-7-11(14(27)10-4-2-3-5-12(10)19)13(8-9)29-15(28)16(20,21)17(22,23)18(24,25)26/h2-8H,1H3 |
| InChIKey |
YOYAFXALYVUYKN-UHFFFAOYSA-N |
| Molecular Weight |
442.717 g/mol |
| SMILES |
C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=C(C=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938561 |
