| SpectraBase Spectrum ID |
BBOb9cQVCS8 |
| Name |
5-Tert-butyl-2,4-dihydroxybenzophenone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.090192588 u |
| Formula |
C21H16F6O5 |
| InChI |
InChI=1S/C21H16F6O5/c1-19(2,3)13-9-12(16(28)11-7-5-4-6-8-11)14(31-17(29)20(22,23)24)10-15(13)32-18(30)21(25,26)27/h4-10H,1-3H3 |
| InChIKey |
ONDGPMLQDZQXGA-UHFFFAOYSA-N |
| Molecular Weight |
462.344 g/mol |
| SMILES |
C1(OC(C(F)(F)F)=O)=C(C=C(C(=C1)OC(C(F)(F)F)=O)C(=O)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837987 |
