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2-phenylethanethioic acid S-[(allyl-cyclohexyl-amino)methyl] ester
SpectraBase Compound ID 1dfqZSOX0Nr
InChI InChI=1S/C18H25NOS/c1-2-13-19(17-11-7-4-8-12-17)15-21-18(20)14-16-9-5-3-6-10-16/h2-3,5-6,9-10,17H,1,4,7-8,11-15H2
InChIKey UMWYIBZMRGZYHE-UHFFFAOYSA-N
Mol Weight 303.46 g/mol
Molecular Formula C18H25NOS
Exact Mass 303.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExZR4nhF67g
Name 2-phenylethanethioic acid S-[(allyl-cyclohexyl-amino)methyl] ester
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25NOS
InChI InChI=1S/C18H25NOS/c1-2-13-19(17-11-7-4-8-12-17)15-21-18(20)14-16-9-5-3-6-10-16/h2-3,5-6,9-10,17H,1,4,7-8,11-15H2
InChIKey UMWYIBZMRGZYHE-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 303.463 g/mol
Solvent CDCl3
Source File Reference UWCP1539