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N-[6-(PHENYLTHIO)-HEX-5-ENYL]-BENZAMIDE;(E/Z)-MIXTURE
SpectraBase Compound ID FUTg4vwEktd
InChI InChI=1S/2C19H21NOS/c2*21-19(17-11-5-3-6-12-17)20-15-9-1-2-10-16-22-18-13-7-4-8-14-18/h2*3-8,10-14,16H,1-2,9,15H2,(H,20,21)/b16-10+;16-10-
InChIKey KRHXKNBOQWZCFI-YQMGPFCXSA-N
Mol Weight 622.89 g/mol
Molecular Formula C38H42N2O2S2
Exact Mass 622.268771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Bs8FanYl8i
Name N-[6-(PHENYLTHIO)-HEX-5-ENYL]-BENZAMIDE;(E/Z)-MIXTURE
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42N2O2S2
InChI InChI=1S/2C19H21NOS/c2*21-19(17-11-5-3-6-12-17)20-15-9-1-2-10-16-22-18-13-7-4-8-14-18/h2*3-8,10-14,16H,1-2,9,15H2,(H,20,21)/b16-10+;16-10-
InChIKey KRHXKNBOQWZCFI-YQMGPFCXSA-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 622.884 g/mol
Solvent CDCl3
Source File Reference UWIR20446