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FqDIt7XC2nB
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FqDIt7XC2nB
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31P NMR
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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3-Benzoyl-2-stearoyl-1-deoxy-rac-sfinganin-1-dibutylphosphonate
SpectraBase Compound ID DTqRNcK3NWa
InChI InChI=1S/C51H94NO6P/c1-5-9-13-15-17-19-21-23-24-26-28-30-32-34-39-43-50(53)52-48(46-59(55,56-44-11-7-3)57-45-12-8-4)49(58-51(54)47-40-36-35-37-41-47)42-38-33-31-29-27-25-22-20-18-16-14-10-6-2/h35-37,40-41,48-49H,5-34,38-39,42-46H2,1-4H3,(H,52,53)
InChIKey QRCXJHSJTNKDSZ-UHFFFAOYSA-N
Mol Weight 848.3 g/mol
Molecular Formula C51H94NO6P
Exact Mass 847.681877 g/mol
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqDIt7XC2nB
Name 3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-DIBUTYLPHOSPHONATE
Comments , CDCL3:CD4O=1:1, CHEMICAL SHIFT AXIS INVERTED!
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C51H94NO6P
InChI InChI=1S/C51H94NO6P/c1-5-9-13-15-17-19-21-23-24-26-28-30-32-34-39-43-50(53)52-48(46-59(55,56-44-11-7-3)57-45-12-8-4)49(58-51(54)47-40-36-35-37-41-47)42-38-33-31-29-27-25-22-20-18-16-14-10-6-2/h35-37,40-41,48-49H,5-34,38-39,42-46H2,1-4H3,(H,52,53)
InChIKey QRCXJHSJTNKDSZ-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference A.S.BUSHNEV, N.T.TAZABEKOVA, I.V.NIKOLAEVSKAYA, E.N.ZVONKOVA, R.P.EVSTIGNEEVA(1983) Bioorganich.Khim.(Russ. Lang.): v.9, N4, 553-555.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/CD4O
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