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2-phenylethanethioic acid S-[(benzyl-methyl-amino)methyl] ester
SpectraBase Compound ID 3Tv2qNxNegc
InChI InChI=1S/C17H19NOS/c1-18(13-16-10-6-3-7-11-16)14-20-17(19)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKey QHZPDXBYBRTTDG-UHFFFAOYSA-N
Mol Weight 285.4 g/mol
Molecular Formula C17H19NOS
Exact Mass 285.118735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSHygEw667Y
Name 2-phenylethanethioic acid S-[(benzyl-methyl-amino)methyl] ester
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19NOS
InChI InChI=1S/C17H19NOS/c1-18(13-16-10-6-3-7-11-16)14-20-17(19)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKey QHZPDXBYBRTTDG-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 285.404 g/mol
Solvent CDCl3
Source File Reference UWCP1540