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2-phenylethanethioic acid S-[(cyclohexyl-methyl-amino)methyl] ester
SpectraBase Compound ID 79KSG4BdFle
InChI InChI=1S/C16H23NOS/c1-17(15-10-6-3-7-11-15)13-19-16(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKey ATYGLYJMURUQOF-UHFFFAOYSA-N
Mol Weight 277.43 g/mol
Molecular Formula C16H23NOS
Exact Mass 277.150036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Awx3l7517mZ
Name 2-phenylethanethioic acid S-[(cyclohexyl-methyl-amino)methyl] ester
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23NOS
InChI InChI=1S/C16H23NOS/c1-17(15-10-6-3-7-11-15)13-19-16(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKey ATYGLYJMURUQOF-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 277.425 g/mol
Solvent CDCl3
Source File Reference UWCP1538