| SpectraBase Spectrum ID |
6SyfZcpB5mk |
| Name |
Diflunisal, o-trifluoroacetyl-, 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.032518559 u |
| Formula |
C19H9F11O4 |
| InChI |
InChI=1S/C19H9F11O4/c20-9-2-3-10(12(21)6-9)8-1-4-13(34-16(32)19(28,29)30)11(5-8)14(31)33-7-17(23,24)15(22)18(25,26)27/h1-6,15H,7H2 |
| InChIKey |
KXPPZFFYXWHMMV-UHFFFAOYSA-N |
| Molecular Weight |
510.259 g/mol |
| SMILES |
C1(=CC=C(C(=C1)C(=O)OCC(C(F)C(F)(F)F)(F)F)OC(C(F)(F)F)=O)C=1C(F)=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807959 |
