SpectraBase Spectrum ID |
AAielbhzHZv |
Name |
Succinic acid, 2,2,3,3-tetrafluoropropyl 2-methylpentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.129771772 u |
Formula |
C13H20F4O4 |
InChI |
InChI=1S/C13H20F4O4/c1-3-4-9(2)7-20-10(18)5-6-11(19)21-8-13(16,17)12(14)15/h9,12H,3-8H2,1-2H3 |
InChIKey |
LMJYOSLKKJBDBS-UHFFFAOYSA-N |
Molecular Weight |
316.293 g/mol |
SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OCC(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851696 |