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Adipic acid, di(2,2,2-trifluoroethyl) ester

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

Adipic acid, di(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 4ah0d4XBGLx
InChI InChI=1S/C10H12F6O4/c11-9(12,13)5-19-7(17)3-1-2-4-8(18)20-6-10(14,15)16/h1-6H2
InChIKey ZHGPZNAGINOIGT-UHFFFAOYSA-N
Mol Weight 310.19 g/mol
Molecular Formula C10H12F6O4
Exact Mass 310.063978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DfdwYYKK620
Name Adipic acid, di(2,2,2-trifluoroethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.063977840 u
Formula C10H12F6O4
InChI InChI=1S/C10H12F6O4/c11-9(12,13)5-19-7(17)3-1-2-4-8(18)20-6-10(14,15)16/h1-6H2
InChIKey ZHGPZNAGINOIGT-UHFFFAOYSA-N
Molecular Weight 310.192 g/mol
SMILES C(CCCC(OCC(F)(F)F)=O)C(OCC(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942847