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MONASNICOTINATE-B;ETHYL-4-[(E)-2-ACETYL-4-OXONON-1-ENYL]-6-[(E)-PROP-1-ENYL]-NICOTINATE
SpectraBase Compound ID DHmElaem1wT
InChI InChI=1S/C22H29NO4/c1-5-8-9-11-20(25)14-17(16(4)24)12-18-13-19(10-6-2)23-15-21(18)22(26)27-7-3/h6,10,12-13,15H,5,7-9,11,14H2,1-4H3/b10-6+,17-12+
InChIKey VKRRVUCFOHUBRO-MKILNOHCSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C42IIkSPEeq
Name MONASNICOTINATE-B;ETHYL-4-[(E)-2-ACETYL-4-OXONON-1-ENYL]-6-[(E)-PROP-1-ENYL]-NICOTINATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-5-8-9-11-20(25)14-17(16(4)24)12-18-13-19(10-6-2)23-15-21(18)22(26)27-7-3/h6,10,12-13,15H,5,7-9,11,14H2,1-4H3/b10-6+,17-12+
InChIKey VKRRVUCFOHUBRO-MKILNOHCSA-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 371.477 g/mol
Sample ID 257
Solvent CDCl3