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2-(benzyl-methyl-amino)-2-phenyl-ethanethioic acid S-undecyl ester
SpectraBase Compound ID 8IEFvYsUywV
InChI InChI=1S/C27H39NOS/c1-3-4-5-6-7-8-9-10-17-22-30-27(29)26(25-20-15-12-16-21-25)28(2)23-24-18-13-11-14-19-24/h11-16,18-21,26H,3-10,17,22-23H2,1-2H3
InChIKey ZHQBRPRVQLVEAU-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C27H39NOS
Exact Mass 425.275236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKJ9ucSQKKX
Name 2-(benzyl-methyl-amino)-2-phenyl-ethanethioic acid S-undecyl ester
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NOS
InChI InChI=1S/C27H39NOS/c1-3-4-5-6-7-8-9-10-17-22-30-27(29)26(25-20-15-12-16-21-25)28(2)23-24-18-13-11-14-19-24/h11-16,18-21,26H,3-10,17,22-23H2,1-2H3
InChIKey ZHQBRPRVQLVEAU-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 425.673 g/mol
Solvent CDCl3
Source File Reference UWCP1544