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(Z)-[(S)-4-OXO-4-(PROP-2-YNYL-AMINO)-BUTANE-1,2-DIYL]-DIOLEATE

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(Z)-[(S)-4-OXO-4-(PROP-2-YNYL-AMINO)-BUTANE-1,2-DIYL]-DIOLEATE
SpectraBase Compound ID 3LfuEPjwzzi
InChI InChI=1S/C43H75NO5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-39-40(38-41(45)44-37-6-3)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h3,19-22,40H,4-5,7-18,23-39H2,1-2H3,(H,44,45)/b21-19-,22-20-/t40-/m0/s1
InChIKey LBPLSMJZPCVXEN-RORXTQDQSA-N
Mol Weight 686.1 g/mol
Molecular Formula C43H75NO5
Exact Mass 685.564525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFPNdGRl9cN
Name (Z)-[(S)-4-OXO-4-(PROP-2-YNYL-AMINO)-BUTANE-1,2-DIYL]-DIOLEATE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H75NO5
InChI InChI=1S/C43H75NO5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-39-40(38-41(45)44-37-6-3)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h3,19-22,40H,4-5,7-18,23-39H2,1-2H3,(H,44,45)/b21-19-,22-20-/t40-/m0/s1
InChIKey LBPLSMJZPCVXEN-RORXTQDQSA-N
Literature Reference Author L.LATXAGUE,A.PATWA,E.AMIGUES,P.BARTHELEMY
Literature Reference Citation MOLECULES,18,12241(2013)
Literature Reference DOI 10.3390/molecules181012241
Molecular Weight 686.072 g/mol
Solvent CDCl3
Source File Reference UWIR9582