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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
SpectraBase Compound ID ASwANzvzK2P
InChI InChI=1S/C14H19F7O4/c1-4-7-24-9(22)11(5-2,6-3)10(23)25-8-12(15,16)13(17,18)14(19,20)21/h4-8H2,1-3H3
InChIKey JTQWDBBWAQXEMN-UHFFFAOYSA-N
Mol Weight 384.29 g/mol
Molecular Formula C14H19F7O4
Exact Mass 384.117156 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IvN1CawbLc2
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.117156229 u
Formula C14H19F7O4
InChI InChI=1S/C14H19F7O4/c1-4-7-24-9(22)11(5-2,6-3)10(23)25-8-12(15,16)13(17,18)14(19,20)21/h4-8H2,1-3H3
InChIKey JTQWDBBWAQXEMN-UHFFFAOYSA-N
Molecular Weight 384.291 g/mol
SMILES CCC(C(OCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862196