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8-[N-BUTYLAMINO-(PHENYL)-METHYLIDENE]-1,2,3,4,5,6,7-HEPTATHIOCANE;ENAMINE+IMINE;MIXTURE
SpectraBase Compound ID 3L0Y6VOEvov
InChI InChI=1S/2C12H15NS7/c2*1-2-3-9-13-11(10-7-5-4-6-8-10)12-14-16-18-20-19-17-15-12/h4-8,13H,2-3,9H2,1H3;4-8,12H,2-3,9H2,1H3/b;13-11+
InChIKey AXTITCIUSGDTLZ-LSTUXRPQSA-N
Mol Weight 397.7 g/mol
Molecular Formula C12H15NS7
Exact Mass 396.924948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61a2NONQAcN
Name 8-[N-BUTYLAMINO-(PHENYL)-METHYLIDENE]-1,2,3,4,5,6,7-HEPTATHIOCANE;ENAMINE+IMINE;MIXTURE
Compound Number 2+2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NS7
InChI InChI=1S/2C12H15NS7/c2*1-2-3-9-13-11(10-7-5-4-6-8-10)12-14-16-18-20-19-17-15-12/h4-8,13H,2-3,9H2,1H3;4-8,12H,2-3,9H2,1H3/b;13-11+
InChIKey AXTITCIUSGDTLZ-LSTUXRPQSA-N
Literature Reference Author H.OFFERMANNS,J.MARTENS,M.WATZKE,P.ALBERS,B.HANNEBAUER,M.JANI K,A.MUELLER,K.SHANKL
Literature Reference Citation OPEN.ORG.CHEM.J.,2,110(2008)
Literature Reference DOI 10.2174/1874095200802010110
Molecular Weight 397.678 g/mol
Solvent CDCl3
Source File Reference UWLU81096