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2-ETHYL-6-(PHENYLTHIO)-HEX-5-ENE-NITRILE;(E/Z)-MIXTURE
SpectraBase Compound ID 4gh57m7Fz8v
InChI InChI=1S/2C14H17NS/c2*1-2-13(12-15)8-6-7-11-16-14-9-4-3-5-10-14/h2*3-5,7,9-11,13H,2,6,8H2,1H3/b11-7+;11-7-
InChIKey LVLWSRZYMLSJKH-HIQQAGMPSA-N
Mol Weight 462.71 g/mol
Molecular Formula C28H34N2S2
Exact Mass 462.216341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1VBsNLmIfd
Name 2-ETHYL-6-(PHENYLTHIO)-HEX-5-ENE-NITRILE;(E/Z)-MIXTURE
Compound Number 84
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N2S2
InChI InChI=1S/2C14H17NS/c2*1-2-13(12-15)8-6-7-11-16-14-9-4-3-5-10-14/h2*3-5,7,9-11,13H,2,6,8H2,1H3/b11-7+;11-7-
InChIKey LVLWSRZYMLSJKH-HIQQAGMPSA-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 462.711 g/mol
Solvent CDCl3
Source File Reference UWIR20443