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4-Carbethoxyhexafluorobutyric acid, 4-methylphenyl ester

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

4-Carbethoxyhexafluorobutyric acid, 4-methylphenyl ester
SpectraBase Compound ID CqVkaa9lOKt
InChI InChI=1S/C14H12F6O4/c1-3-23-10(21)12(15,16)14(19,20)13(17,18)11(22)24-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey YIBJUWIEGJFVRI-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C14H12F6O4
Exact Mass 358.063978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6JhftDLqp9n
Name 4-Carbethoxyhexafluorobutyric acid, 4-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.063977840 u
Formula C14H12F6O4
InChI InChI=1S/C14H12F6O4/c1-3-23-10(21)12(15,16)14(19,20)13(17,18)11(22)24-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey YIBJUWIEGJFVRI-UHFFFAOYSA-N
Molecular Weight 358.236 g/mol
SMILES C1(=CC=C(C=C1)OC(C(C(C(C(OCC)=O)(F)F)(F)F)(F)F)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948172