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Diacetylmonocrotaline
SpectraBase Compound ID ESXYjP6QaEI
InChI InChI=1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3/t11-,15+,16+,19+,20-/m0/s1
InChIKey QYZUGPWAGWFQNV-FMWHFLGYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C20H27NO8
Exact Mass 409.173667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H12qMVqbgIU
Name DIACETYLMONOCROTALINE
CAS Registry Number 25490-68-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27NO8
InChI InChI=1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3/t11-,15+,16+,19+,20-/m0/s1
InChIKey QYZUGPWAGWFQNV-FMWHFLGYSA-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 409.436 g/mol
Solvent CDCl3
Source File Reference UNIW22224