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CHOLECALCIFERYL-3-O-BIS(N,N-DIETHYLAMIDO)THIOPHOSPHATE
SpectraBase Compound ID 1e9Gl1GqKdK
InChI InChI=1S/C35H63N2OPS/c1-10-36(11-2)39(40,37(12-3)13-4)38-32-22-19-28(7)31(26-32)21-20-30-18-15-25-35(9)33(23-24-34(30)35)29(8)17-14-16-27(5)6/h20-21,27,29,32-34H,7,10-19,22-26H2,1-6,8-9H3/b30-20+,31-21-/t29?,32-,33?,34?,35+/m1/s1
InChIKey UAQCXUTXLWCQLF-RUJWMRMRSA-N
Mol Weight 590.9 g/mol
Molecular Formula C35H63N2OPS
Exact Mass 590.439873 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Bz8BO2AQBo
Name CHOLECALCIFERYL-3-O-BIS(N,N-DIETHYLAMIDO)THIOPHOSPHATE
Comments , 31P-{1H}, DIASTEREOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H63N2OPS
InChI InChI=1S/C35H63N2OPS/c1-10-36(11-2)39(40,37(12-3)13-4)38-32-22-19-28(7)31(26-32)21-20-30-18-15-25-35(9)33(23-24-34(30)35)29(8)17-14-16-27(5)6/h20-21,27,29,32-34H,7,10-19,22-26H2,1-6,8-9H3/b30-20+,31-21-/t29?,32-,33?,34?,35+/m1/s1
InChIKey UAQCXUTXLWCQLF-RUJWMRMRSA-N
Instrument Name Varian XL-300
Literature Reference S.D.STAMATOV, S.GRONOWITZ (1991) Phosphorus and Sulfur: v.61, N1, 137-143.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d