| SpectraBase Spectrum ID |
5QcqsSsLZ7y |
| Name |
Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.120349903 u |
| Formula |
C13H19F5O4 |
| InChI |
InChI=1S/C13H19F5O4/c1-4-7-21-9(19)11(5-2,6-3)10(20)22-8-12(14,15)13(16,17)18/h4-8H2,1-3H3 |
| InChIKey |
LSHAEGYZNQABIS-UHFFFAOYSA-N |
| Molecular Weight |
334.283 g/mol |
| SMILES |
C(C(C(OCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884342 |
