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(5-NITRO-HEX-1-ENYL)-PHENYLSULFIDE;(E/Z)-MIXTURE
SpectraBase Compound ID BZGJPolcan8
InChI InChI=1S/2C12H15NO2S/c2*1-11(13(14)15)7-5-6-10-16-12-8-3-2-4-9-12/h2*2-4,6,8-11H,5,7H2,1H3/b10-6+;10-6-
InChIKey KQXFBLFRJMEKFW-CJUPLKJXSA-N
Mol Weight 474.63 g/mol
Molecular Formula C24H30N2O4S2
Exact Mass 474.1647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfB37EMSq3e
Name (5-NITRO-HEX-1-ENYL)-PHENYLSULFIDE;(E/Z)-MIXTURE
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30N2O4S2
InChI InChI=1S/2C12H15NO2S/c2*1-11(13(14)15)7-5-6-10-16-12-8-3-2-4-9-12/h2*2-4,6,8-11H,5,7H2,1H3/b10-6+;10-6-
InChIKey KQXFBLFRJMEKFW-CJUPLKJXSA-N
Literature Reference Author C.QUINET,L.SAMPOUX,I.E.MARKO
Literature Reference Citation EUR.J.ORG.CHEM.,2009,1806(2009)
Literature Reference DOI 10.1002/ejoc.200900009
Molecular Weight 474.633 g/mol
Solvent CDCl3
Source File Reference UWIR20410