For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-HYDROXY-3-HEXAFLUOROISOPROPYLIDENE-2,2-BIS(TRIFLUOROMETHYL)BUTANOICACID
SpectraBase Compound ID BDlpDco5CAT
InChI InChI=1S/C9H4F12O3/c10-6(11,12)3(7(13,14)15)2(1-22)5(4(23)24,8(16,17)18)9(19,20)21/h22H,1H2,(H,23,24)
InChIKey RUQFSHCEISTZEA-UHFFFAOYSA-N
Mol Weight 388.11 g/mol
Molecular Formula C9H4F12O3
Exact Mass 387.996882 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID NqPhVfaNTR
Name 4-HYDROXY-3-HEXAFLUOROISOPROPYLIDENE-2,2-BIS(TRIFLUOROMETHYL)BUTANOICACID
Comments SCALE INVERTED. 20.2, 22.6 WERE ASSIGNED TO CIS AND TRANS CF3 DUE TO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H4F12O3
InChI InChI=1S/C9H4F12O3/c10-6(11,12)3(7(13,14)15)2(1-22)5(4(23)24,8(16,17)18)9(19,20)21/h22H,1H2,(H,23,24)
InChIKey RUQFSHCEISTZEA-UHFFFAOYSA-N
Instrument Name PE R-12A
Literature Reference E.G.TERT-GABRIELYAN, E.A.AVETISYAN, N.P.GAMBARYAN (1973) Izv.Akad.NaukSSSR(Russ. Lang.): N11, 2562-2566.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported