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6-(PHENYLTHIO)-HEX-5-ENE-NITRILE;(E/Z)-MIXTURE
SpectraBase Compound ID ELgUUSAkzaF
InChI InChI=1S/2C12H13NS/c2*13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h2*3-5,7-9,11H,1-2,6H2/b11-7+;11-7-
InChIKey NOCRAYNGXJBVBS-HIQQAGMPSA-N
Mol Weight 406.61 g/mol
Molecular Formula C24H26N2S2
Exact Mass 406.153741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCWcZHT92yl
Name 6-(PHENYLTHIO)-HEX-5-ENE-NITRILE;(E/Z)-MIXTURE
CAS Registry Number 104261-00-9
Compound Number 83
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26N2S2
InChI InChI=1S/2C12H13NS/c2*13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h2*3-5,7-9,11H,1-2,6H2/b11-7+;11-7-
InChIKey NOCRAYNGXJBVBS-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 406.604 g/mol
Solvent CDCl3
Source File Reference UWIR20442