| SpectraBase Spectrum ID |
L2lucKhWlMn |
| Name |
4'-Chloro-2-hydroxy-4-methoxybenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.015583639 u |
| Formula |
C18H10ClF7O4 |
| InChI |
InChI=1S/C18H10ClF7O4/c1-29-11-6-7-12(14(27)9-2-4-10(19)5-3-9)13(8-11)30-15(28)16(20,21)17(22,23)18(24,25)26/h2-8H,1H3 |
| InChIKey |
ODPQLQQEBYQDJR-UHFFFAOYSA-N |
| Molecular Weight |
458.716 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=C(C=C1)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91282 |
