John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=rZV1sMZ5Mp SpectraBase Spectrum ID=9OQpd8JnIrI

(accessed ).
REL-(2S,3S,4S)-4-FLUORO-2-(STEAROYLAMIDO)-OCTADECANE-1,3-DIOL
SpectraBase Compound ID rZV1sMZ5Mp
InChI InChI=1S/C36H72FNO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)38-34(32-39)36(41)33(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,39,41H,3-32H2,1-2H3,(H,38,40)/t33-,34+,36+/m1/s1
InChIKey UQTYDPWTRZLICB-ZHAMFGDSSA-N
Mol Weight 586.0 g/mol
Molecular Formula C36H72FNO3
Exact Mass 585.549624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OQpd8JnIrI
Name REL-(2S,3S,4S)-4-FLUORO-2-(STEAROYLAMIDO)-OCTADECANE-1,3-DIOL
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H72FNO3
InChI InChI=1S/C36H72FNO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)38-34(32-39)36(41)33(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,39,41H,3-32H2,1-2H3,(H,38,40)/t33-,34+,36+/m1/s1
InChIKey UQTYDPWTRZLICB-ZHAMFGDSSA-N
Literature Reference Author J.OLDENDORF,G.HAUFE
Literature Reference Citation EUR.J.ORG.CHEM.,4463(2006)
Molecular Weight 585.971 g/mol
Sample ID 44217
Solvent CDCl3:CD3OD
SpectraBase Batch ID 832B7rtVZes