| SpectraBase Spectrum ID |
1iZEeYAc2uS |
| Name |
2,4,4'-Trihydroxybenzophenone, tri-tfa |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.004806025 u |
| Formula |
C19H7F9O7 |
| InChI |
InChI=1S/C19H7F9O7/c20-17(21,22)14(30)33-9-3-1-8(2-4-9)13(29)11-6-5-10(34-15(31)18(23,24)25)7-12(11)35-16(32)19(26,27)28/h1-7H |
| InChIKey |
WEYHGQJWQRZWKJ-UHFFFAOYSA-N |
| Molecular Weight |
518.244 g/mol |
| SMILES |
C1(OC(C(F)(F)F)=O)=C(C=CC(=C1)OC(C(F)(F)F)=O)C(=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965518 |
