| SpectraBase Spectrum ID |
HswFdygT42k |
| Name |
Gentisic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.000469537 u |
| Formula |
C14H6F10O6 |
| InChI |
InChI=1S/C14H6F10O6/c15-9(16)12(17,18)4-28-8(25)6-3-5(29-10(26)13(19,20)21)1-2-7(6)30-11(27)14(22,23)24/h1-3,9H,4H2 |
| InChIKey |
MLSPCGJKCQOOFR-UHFFFAOYSA-N |
| Molecular Weight |
460.180 g/mol |
| SMILES |
C1(C(=O)OCC(C(F)F)(F)F)=C(C=CC(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9822 |
