| SpectraBase Spectrum ID |
DBT6PE1a8fK |
| Name |
4-Benzoyl-1,3-phenylene bis(2,2,2-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)27-10-6-7-11(13(24)9-4-2-1-3-5-9)12(8-10)28-15(26)17(21,22)23/h1-8H |
| InChIKey |
KSUTVLNLILHQRQ-UHFFFAOYSA-N |
| Molecular Weight |
406.236 g/mol |
| SMILES |
C(C1=C(C=C(C=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957667 |
