| SpectraBase Spectrum ID |
6rYXzHEg239 |
| Name |
Diethylmalonic acid, butyl 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 |
380.142228162 u |
| Formula |
C15H22F6O4 |
| InChI |
InChI=1S/C15H22F6O4/c1-4-7-8-24-11(22)13(5-2,6-3)12(23)25-9-14(17,18)10(16)15(19,20)21/h10H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey |
FTWQLFGDQBFPQF-JTQLQIEISA-N |
| Molecular Weight |
380.327 g/mol |
| SMILES |
C(C(C(OCCCC)=O)(CC)CC)(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8208 |
