| SpectraBase Spectrum ID |
EaXsReX2vE9 |
| Name |
2,4,4'-Trihydroxybenzophenone, tris(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
667.995225003 u |
| Formula |
C22H7F15O7 |
| InChI |
InChI=1S/C22H7F15O7/c23-17(24,20(29,30)31)14(39)42-9-3-1-8(2-4-9)13(38)11-6-5-10(43-15(40)18(25,26)21(32,33)34)7-12(11)44-16(41)19(27,28)22(35,36)37/h1-7H |
| InChIKey |
TVOPPOUTAHGBOD-UHFFFAOYSA-N |
| Molecular Weight |
668.267 g/mol |
| SMILES |
C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)C(=O)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972026 |
