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N-ETHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
SpectraBase Compound ID 97sK6CpNR47
InChI InChI=1S/2C13H19NS/c2*1-2-14-11-7-4-8-12-15-13-9-5-3-6-10-13/h2*3,5-6,8-10,12,14H,2,4,7,11H2,1H3/b12-8+;12-8-
InChIKey ZZZRTUSFOCIHRA-UYHWXQPNSA-N
Mol Weight 442.72 g/mol
Molecular Formula C26H38N2S2
Exact Mass 442.247642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47KLFsKdcCG
Name N-ETHYL-5-(PHENYLTHIO)-PENT-4-EN-1-AMINE;(E/Z)-MIXTURE
Compound Number 69
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38N2S2
InChI InChI=1S/2C13H19NS/c2*1-2-14-11-7-4-8-12-15-13-9-5-3-6-10-13/h2*3,5-6,8-10,12,14H,2,4,7,11H2,1H3/b12-8+;12-8-
InChIKey ZZZRTUSFOCIHRA-UYHWXQPNSA-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 442.721 g/mol
Solvent CDCl3
Source File Reference UWIR20429