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MONASNICOTINATE-D;(E)-METHYL-4-(-2-ACETYL-4-OXONON-1-ENYL)-6-PROPYL-NICOTINATE
SpectraBase Compound ID 5BBKNPVGkxw
InChI InChI=1S/C21H29NO4/c1-5-7-8-10-19(24)13-16(15(3)23)11-17-12-18(9-6-2)22-14-20(17)21(25)26-4/h11-12,14H,5-10,13H2,1-4H3/b16-11+
InChIKey KVMBIFZQFLOAFI-LFIBNONCSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xVeSz79Jtd
Name MONASNICOTINATE-D;(E)-METHYL-4-(-2-ACETYL-4-OXONON-1-ENYL)-6-PROPYL-NICOTINATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-5-7-8-10-19(24)13-16(15(3)23)11-17-12-18(9-6-2)22-14-20(17)21(25)26-4/h11-12,14H,5-10,13H2,1-4H3/b16-11+
InChIKey KVMBIFZQFLOAFI-LFIBNONCSA-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 359.466 g/mol
Sample ID 259
Solvent CDCl3