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1,2-DISTEAROYL-RAC-GLYCERO-3-THIONOPHOSPHORYLHOMOCHOLINE
SpectraBase Compound ID 38o2TWPJ6FQ
InChI InChI=1S/C45H90NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-44(47)50-41-43(42-52-54(49,55)51-40-36-39-46(3,4)5)53-45(48)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3
InChIKey INJVWVNPSAOBOM-UHFFFAOYSA-N
Mol Weight 820.2 g/mol
Molecular Formula C45H90NO7PS
Exact Mass 819.617562 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JmRq3wnjRB
Name 1,2-DISTEAROYL-RAC-GLYCERO-3-THIONOPHOSPHORYLHOMOCHOLINE
Comments , SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H90NO7PS
InChI InChI=1S/C45H90NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-44(47)50-41-43(42-52-54(49,55)51-40-36-39-46(3,4)5)53-45(48)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3
InChIKey INJVWVNPSAOBOM-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference E.E.NIFANT'EV, D.A.PREDVODITELEV, KH.KH.ALARKON (1978) Zhurn.Org.Khim.(Russ.Lang.): v.14, N1, 63-71.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform