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heptafluorobutyric acid, ethyl ester

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 5 MS (GC)

heptafluorobutyric acid, ethyl ester
SpectraBase Compound ID GbkuYiANjCZ
InChI InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey JVHJRIQPDBCRRE-UHFFFAOYSA-N
Mol Weight 242.09 g/mol
Molecular Formula C6H5F7O2
Exact Mass 242.017777 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dg4vjilN7Aq
Name Ethyl perfluorobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 175145
CAS Registry Number 356-27-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5F7O2
InChI InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey JVHJRIQPDBCRRE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl heptafluorobutyrate
Wiley ID SIAL_13CNMR_002122