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

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

Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 16kxK7Hk5CO
InChI InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3
InChIKey QVGZVUXDHYKBQR-UHFFFAOYSA-N
Mol Weight 398.32 g/mol
Molecular Formula C15H21F7O4
Exact Mass 398.132806 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DMHynKKokX
Name Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.132806293 u
Formula C15H21F7O4
InChI InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3
InChIKey QVGZVUXDHYKBQR-UHFFFAOYSA-N
Molecular Weight 398.318 g/mol
SMILES CCC(C(OCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868654