| SpectraBase Spectrum ID |
H7UCdrxtCrW |
| Name |
5-Tert-butyl-2,4-dihydroxybenzophenone, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.083805240 u |
| Formula |
C23H16F10O5 |
| InChI |
InChI=1S/C23H16F10O5/c1-19(2,3)13-9-12(16(34)11-7-5-4-6-8-11)14(37-17(35)20(24,25)22(28,29)30)10-15(13)38-18(36)21(26,27)23(31,32)33/h4-10H,1-3H3 |
| InChIKey |
MFLMGZSJPFNLEH-UHFFFAOYSA-N |
| Molecular Weight |
562.360 g/mol |
| SMILES |
C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=C(C(=C1)OC(C(C(F)(F)F)(F)F)=O)C(=O)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907148 |
