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MONASNICOTINATE-C;METHYL-4-[(E)-2-ACETYL-4-OXOUNDEC-1-ENYL]-6-[(E)-PROP-1-ENYL]-NICOTINATE
SpectraBase Compound ID LGwKFdytZBA
InChI InChI=1S/C23H31NO4/c1-5-7-8-9-10-12-21(26)15-18(17(3)25)13-19-14-20(11-6-2)24-16-22(19)23(27)28-4/h6,11,13-14,16H,5,7-10,12,15H2,1-4H3/b11-6+,18-13+
InChIKey STZHZPXESUIVNZ-JQQRNLMQSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9h12VEYnbg
Name MONASNICOTINATE-C;METHYL-4-[(E)-2-ACETYL-4-OXOUNDEC-1-ENYL]-6-[(E)-PROP-1-ENYL]-NICOTINATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-5-7-8-9-10-12-21(26)15-18(17(3)25)13-19-14-20(11-6-2)24-16-22(19)23(27)28-4/h6,11,13-14,16H,5,7-10,12,15H2,1-4H3/b11-6+,18-13+
InChIKey STZHZPXESUIVNZ-JQQRNLMQSA-N
Literature Reference Author M.D.WU,M.J.CHENG,Y.J.YECH,Y.L.CHEN,K.P.CHEN,I.S.CHEN,P.H.YAN G,G.F.YUAN
Literature Reference Citation MOLECULES,16,4719(2011)
Literature Reference DOI 10.3390/molecules16064719
Molecular Weight 385.503 g/mol
Sample ID 258
Solvent CDCl3