| SpectraBase Spectrum ID |
LiNBDrs19Yz |
| Name |
2'-Chloro-2-hydroxy-5-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/c1-9-6-7-13(11(8-9)14(27)10-4-2-3-5-12(10)19)29-15(28)16(20,21)17(22,23)18(24,25)26/h2-8H,1H3 |
| InChIKey |
LWASOTLSEDEVGC-UHFFFAOYSA-N |
| Molecular Weight |
442.717 g/mol |
| SMILES |
C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=CC(=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945766 |
