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Monocrotaline

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Monocrotaline
SpectraBase Compound ID 1qbj0h2RLY0
InChI InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChIKey QVCMHGGNRFRMAD-XFGHUUIASA-N
Mol Weight 325.36 g/mol
Molecular Formula C16H23NO6
Exact Mass 325.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ASv9LCsbgj
Name MONOCROTALINE
CAS Registry Number 146143-26-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23NO6
InChI InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChIKey QVCMHGGNRFRMAD-XFGHUUIASA-N
Literature Reference Author A.J.JONES,C.C.J.COLVENOR,L.W.SMITH
Literature Reference Citation AUSTR.J.CHEM.,35,1173(1982)
Literature Reference DOI 10.1071/ch9821173
Molecular Weight 325.362 g/mol
Solvent CDCl3
Source File Reference UNIW22223