| SpectraBase Spectrum ID |
IzlHlLCYFtM |
| Name |
5-Tert-butyl-2,4-dihydroxybenzophenone, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
662.077417892 u |
| Formula |
C25H16F14O5 |
| InChI |
InChI=1S/C25H16F14O5/c1-19(2,3)13-9-12(16(40)11-7-5-4-6-8-11)14(43-17(41)20(26,27)22(30,31)24(34,35)36)10-15(13)44-18(42)21(28,29)23(32,33)25(37,38)39/h4-10H,1-3H3 |
| InChIKey |
XGZIQXZVPLNKBC-UHFFFAOYSA-N |
| Molecular Weight |
662.376 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963118 |
