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D-THREO-3-BENZOYLOXY-3-(4-NITROPHENYL)-2-STEAROYLAMINO-1-(2-CHLOROETHYLPHOSPHOXY)PROPANE
SpectraBase Compound ID L9GeHpXAjyL
InChI InChI=1S/C36H54ClN2O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(40)38-33(29-47-49(44,45)46-28-27-37)35(30-23-25-32(26-24-30)39(42)43)48-36(41)31-20-17-16-18-21-31/h16-18,20-21,23-26,33,35H,2-15,19,22,27-29H2,1H3,(H,38,40)(H,44,45)/t33-,35-/m0/s1
InChIKey RWXIDXACRJQPIX-LRHLLKFHSA-N
Mol Weight 725.3 g/mol
Molecular Formula C36H54ClN2O9P
Exact Mass 724.325546 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YzE6GLY3WK
Name D-THREO-3-BENZOYLOXY-3-(4-NITROPHENYL)-2-STEAROYLAMINO-1-(2-CHLOROETHYLPHOSPHOXY)PROPANE
Comments , C=0.1M, CHCL3:CH3OH=1:1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H54ClN2O9P
InChI InChI=1S/C36H54ClN2O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(40)38-33(29-47-49(44,45)46-28-27-37)35(30-23-25-32(26-24-30)39(42)43)48-36(41)31-20-17-16-18-21-31/h16-18,20-21,23-26,33,35H,2-15,19,22,27-29H2,1H3,(H,38,40)(H,44,45)/t33-,35-/m0/s1
InChIKey RWXIDXACRJQPIX-LRHLLKFHSA-N
Instrument Name Bruker WP-60
Literature Reference E.V.DOKOLINA, I.I.TARUSINA, D.S.ESIPOV, A.S.BUSHNEV, E.N.ZVONKOVA,R.P.EVSTIGNEEVA (1985) Bioorganich.Khim.(Russ. Lang.): v.11, N12, 1661-1668.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3/CH4O