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1-BENZYL-2-METHYL-5-(PHENYLTHIOMETHYL)-PYRROLIDINE;(CIS/TRANS)-MIXTURE
SpectraBase Compound ID 2Rjn8liwQwf
InChI InChI=1S/2C19H23NS/c2*1-16-12-13-18(15-21-19-10-6-3-7-11-19)20(16)14-17-8-4-2-5-9-17/h2*2-11,16,18H,12-15H2,1H3/t16-,18+;16-,18-/m01/s1
InChIKey PSMWQFUDMNFMSS-UWFNHILXSA-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 LPr0at9aiC3
Name 1-BENZYL-2-METHYL-5-(PHENYLTHIOMETHYL)-PYRROLIDINE;(CIS/TRANS)-MIXTURE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46N2S2
InChI InChI=1S/2C19H23NS/c2*1-16-12-13-18(15-21-19-10-6-3-7-11-19)20(16)14-17-8-4-2-5-9-17/h2*2-11,16,18H,12-15H2,1H3/t16-,18+;16-,18-/m01/s1
InChIKey PSMWQFUDMNFMSS-UWFNHILXSA-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 UWIR20464