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1-ETHYL-2-METHYL-5-(PHENYLTHIOMETHYL)-PYRROLIDINE;(CIS/TRANS)-MIXTURE
SpectraBase Compound ID JhPCwVEnfK5
InChI InChI=1S/2C14H21NS/c2*1-3-15-12(2)9-10-13(15)11-16-14-7-5-4-6-8-14/h2*4-8,12-13H,3,9-11H2,1-2H3/t12-,13+;12-,13-/m01/s1
InChIKey CFNTWPUJMSUJLC-ANNNAOBCSA-N
Mol Weight 470.78 g/mol
Molecular Formula C28H42N2S2
Exact Mass 470.278942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KKnzMMMsUR
Name 1-ETHYL-2-METHYL-5-(PHENYLTHIOMETHYL)-PYRROLIDINE;(CIS/TRANS)-MIXTURE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N2S2
InChI InChI=1S/2C14H21NS/c2*1-3-15-12(2)9-10-13(15)11-16-14-7-5-4-6-8-14/h2*4-8,12-13H,3,9-11H2,1-2H3/t12-,13+;12-,13-/m01/s1
InChIKey CFNTWPUJMSUJLC-ANNNAOBCSA-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 470.775 g/mol
Solvent CDCl3
Source File Reference UWIR20463