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CHOLESTANYL 2,4,4,4-TRIFLUORO-3-OXOBUTANOATE (KETO)
SpectraBase Compound ID 9xFhevbgwj7
InChI InChI=1S/C31H48F4O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(38-28(37)26(32)27(36)31(33,34)35)13-15-29(20,4)25(22)14-16-30(23,24)5/h18-26H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,29-,30+/m1/s1
InChIKey ZATGMPWIZWTAKU-BNVBNVAHSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H48F4O3
Exact Mass 544.353958 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7yPBfP3sUW
Name CHOLESTANYL 2,4,4,4-TRIFLUORO-3-OXOBUTANOATE (KETO)
Comments J(C-F)=39.2 AND 24.1 MAY BE REASSIGNED. MIXTURE WITH ENOL-FORM.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H48F4O3
InChI InChI=1S/C31H48F4O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(38-28(37)26(32)27(36)31(33,34)35)13-15-29(20,4)25(22)14-16-30(23,24)5/h18-26H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,29-,30+/m1/s1
InChIKey ZATGMPWIZWTAKU-BNVBNVAHSA-N
Instrument Name Bruker WP-60
Literature Reference M.IZNADEN, C.PORTELLA (1989) J.Fluor.Chem.: v.43, N1, 105-118.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d