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CHOLESTANYL, 3-AMINO-4,4,4-TRIFLUOROBUT-2-ENOATE

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CHOLESTANYL, 3-AMINO-4,4,4-TRIFLUOROBUT-2-ENOATE
SpectraBase Compound ID 6Rf7ycqtPBB
InChI InChI=1S/C31H50F3NO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(37-28(36)18-27(35)31(32,33)34)13-15-29(21,4)26(23)14-16-30(24,25)5/h18-26H,6-17,35H2,1-5H3/b27-18-/t20?,21-,22-,23?,24+,25?,26?,29-,30+/m1/s1
InChIKey ODXNJRLDTBJYMD-OIAJYDFCSA-N
Mol Weight 525.7 g/mol
Molecular Formula C31H50F3NO2
Exact Mass 525.379364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UZvegDVwZ7
Name CHOLESTANYL, 3-AMINO-4,4,4-TRIFLUOROBUT-2-ENOATE
Comments 9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H50F3NO2
InChI InChI=1S/C31H50F3NO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(37-28(36)18-27(35)31(32,33)34)13-15-29(21,4)26(23)14-16-30(24,25)5/h18-26H,6-17,35H2,1-5H3/b27-18-/t20?,21-,22-,23?,24+,25?,26?,29-,30+/m1/s1
InChIKey ODXNJRLDTBJYMD-OIAJYDFCSA-N
Instrument Name Jeol FX-90
Literature Reference C.PORTELLA, M.IZNADEN (1991) J.Fluor.Chem.: v.51, N1, 1-20.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported