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N-BENZYL-3-METHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE

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N-BENZYL-3-METHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
SpectraBase Compound ID L6CrzPs0kQ5
InChI InChI=1S/2C19H23NS/c2*1-17(13-15-21-19-10-6-3-7-11-19)12-14-20-16-18-8-4-2-5-9-18/h2*2-11,13,15,17,20H,12,14,16H2,1H3/b15-13+;15-13-
InChIKey OXTILEJMIXMJPI-YFQKTCFLSA-N
Mol Weight 594.92 g/mol
Molecular Formula C38H46N2S2
Exact Mass 594.310242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ao4voHd4z8v
Name N-BENZYL-3-METHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
Compound Number 74
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46N2S2
InChI InChI=1S/2C19H23NS/c2*1-17(13-15-21-19-10-6-3-7-11-19)12-14-20-16-18-8-4-2-5-9-18/h2*2-11,13,15,17,20H,12,14,16H2,1H3/b15-13+;15-13-
InChIKey OXTILEJMIXMJPI-YFQKTCFLSA-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 594.917 g/mol
Solvent CDCl3
Source File Reference UWIR20434