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3-METHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
SpectraBase Compound ID JyafAK38Q58
InChI InChI=1S/2C12H17NS/c2*1-11(7-9-13)8-10-14-12-5-3-2-4-6-12/h2*2-6,8,10-11H,7,9,13H2,1H3/b10-8+;10-8-
InChIKey FWIXGNNMOPXWNA-JHRISFNNSA-N
Mol Weight 414.67 g/mol
Molecular Formula C24H34N2S2
Exact Mass 414.216341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlInNm6vgou
Name 3-METHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
Compound Number 6 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34N2S2
InChI InChI=1S/2C12H17NS/c2*1-11(7-9-13)8-10-14-12-5-3-2-4-6-12/h2*2-6,8,10-11H,7,9,13H2,1H3/b10-8+;10-8-
InChIKey FWIXGNNMOPXWNA-JHRISFNNSA-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 414.667 g/mol
Solvent CDCl3
Source File Reference UWIR20420