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(S)-4-OXO-4-(PROP-2-YNYL-AMINO)-BUTANE-1,2-DIYL-DIDODECANOATE
SpectraBase Compound ID q6gKTqmoEy
InChI InChI=1S/C31H55NO5/c1-4-7-9-11-13-15-17-19-21-23-30(34)36-27-28(26-29(33)32-25-6-3)37-31(35)24-22-20-18-16-14-12-10-8-5-2/h3,28H,4-5,7-27H2,1-2H3,(H,32,33)/t28-/m0/s1
InChIKey YUQBUTYFRWSNGD-NDEPHWFRSA-N
Mol Weight 521.8 g/mol
Molecular Formula C31H55NO5
Exact Mass 521.408024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JhVagY5F2x
Name (S)-4-OXO-4-(PROP-2-YNYL-AMINO)-BUTANE-1,2-DIYL-DIDODECANOATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H55NO5
InChI InChI=1S/C31H55NO5/c1-4-7-9-11-13-15-17-19-21-23-30(34)36-27-28(26-29(33)32-25-6-3)37-31(35)24-22-20-18-16-14-12-10-8-5-2/h3,28H,4-5,7-27H2,1-2H3,(H,32,33)/t28-/m0/s1
InChIKey YUQBUTYFRWSNGD-NDEPHWFRSA-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 521.781 g/mol
Solvent CDCl3
Source File Reference UWIR9583