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S-[(dicyclohexylamino)methyl] 2-phenylethanethioate

View entire compound with spectra: 1 NMR

S-[(dicyclohexylamino)methyl] 2-phenylethanethioate
SpectraBase Compound ID AwZtaCoKiIb
InChI InChI=1S/C21H31NOS/c23-21(16-18-10-4-1-5-11-18)24-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2
InChIKey PPXOVDPLDZGMGO-UHFFFAOYSA-N
Mol Weight 345.55 g/mol
Molecular Formula C21H31NOS
Exact Mass 345.212636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ge0ZVT3OYq
Name S-[(dicyclohexylamino)methyl] 2-phenylethanethioate
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NOS
InChI InChI=1S/C21H31NOS/c23-21(16-18-10-4-1-5-11-18)24-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2
InChIKey PPXOVDPLDZGMGO-UHFFFAOYSA-N
Literature Reference Author K.KHUMTAVEEPORN,H.ALPER
Literature Reference Citation J.ORG.CHEM.,59,1414(1994)
Literature Reference DOI 10.1021/jo00085a034
Molecular Weight 345.543 g/mol
Solvent CDCl3
Source File Reference UWCP1537