| SpectraBase Spectrum ID |
Ghusbe1uMZj |
| Name |
(5-Tert-butyl-2,4-dihydroxyphenyl)(phenyl)methanone, o'-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.101506164 u |
| Formula |
C21H17F7O4 |
| InChI |
InChI=1S/C21H17F7O4/c1-18(2,3)13-9-12(16(30)11-7-5-4-6-8-11)14(29)10-15(13)32-17(31)19(22,23)20(24,25)21(26,27)28/h4-10,29H,1-3H3 |
| InChIKey |
LRFSEVOBEMYVSK-UHFFFAOYSA-N |
| Molecular Weight |
466.352 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C(=C1)O)C(=O)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922648 |
