| SpectraBase Spectrum ID |
4LplMgsMjkG |
| Name |
3,4-Dihydroxybenzophenone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.027592331 u |
| Formula |
C17H8F6O5 |
| InChI |
InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-11-7-6-10(13(24)9-4-2-1-3-5-9)8-12(11)28-15(26)17(21,22)23/h1-8H |
| InChIKey |
MBGUKSHWUJOGEE-UHFFFAOYSA-N |
| Molecular Weight |
406.236 g/mol |
| SMILES |
C1(OC(C(F)(F)F)=O)=C(C=CC(=C1)C(=O)C1=CC=CC=C1)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916401 |
