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CHOLESTANYL, 3-PROPYLIMINO-2,4,4,4-TETRAFLUOROBUTANOATE (ISOMER 1)
SpectraBase Compound ID FhBkZWKZj95
InChI InChI=1S/C34H55F4NO2/c1-7-19-39-30(34(36,37)38)29(35)31(40)41-24-15-17-32(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)33(27,6)18-16-28(25)32/h21-29H,7-20H2,1-6H3/b39-30-/t22?,23-,24-,25?,26+,27?,28?,29?,32-,33+/m1/s1
InChIKey YPSGKRMAENXAES-XGHWBHTMSA-N
Mol Weight 585.8 g/mol
Molecular Formula C34H55F4NO2
Exact Mass 585.416893 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EkY8B8PiS4
Name CHOLESTANYL, 3-PROPYLIMINO-2,4,4,4-TETRAFLUOROBUTANOATE (ISOMER 2)
Comments STANDARD IS DEDUCED TO BE CFCL3 (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H55F4NO2
InChI InChI=1S/C34H55F4NO2/c1-7-19-39-30(34(36,37)38)29(35)31(40)41-24-15-17-32(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)33(27,6)18-16-28(25)32/h21-29H,7-20H2,1-6H3/b39-30-/t22?,23-,24-,25?,26+,27?,28?,29?,32-,33+/m1/s1
InChIKey YPSGKRMAENXAES-XGHWBHTMSA-N
Instrument Name Varian A56/60A
Literature Reference C.PORTELLA, M.IZNADEN (1991) J.Fluor.Chem.: v.51, N1, 1-20.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported