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Heptafluorobutyric acid

View entire compound with spectra: 6 NMR, 9 FTIR, 2 Raman, and 8 MS (GC)

Heptafluorobutyric acid
SpectraBase Compound ID COBj6FpC1Cb
InChI InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
InChIKey YPJUNDFVDDCYIH-UHFFFAOYSA-N
Mol Weight 214.04 g/mol
Molecular Formula C4HF7O2
Exact Mass 213.986476 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BRYECo3COui
Name Perfluorobutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 164194
CAS Registry Number 375-22-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4HF7O2
InChI InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
InChIKey YPJUNDFVDDCYIH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Heptafluorobutyric acid Edman Reagent No. 3 HFBA Perfluorobutyric acid
Wiley ID SIAL_13CNMR_001989