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S-[(2S)-2-Acetylamino-3-phenylpropyl] m-chlorothiobenzoate
SpectraBase Compound ID 3hslg16P5W9
InChI InChI=1S/C18H18ClNO2S/c1-13(21)20-17(10-14-6-3-2-4-7-14)12-23-18(22)15-8-5-9-16(19)11-15/h2-9,11,17H,10,12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKey DLXWVRNASVKXFF-QGZVFWFLSA-N
Mol Weight 347.86 g/mol
Molecular Formula C18H18ClNO2S
Exact Mass 347.074678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fyr5euYLfC
Name S-[(2S)-2-ACETYLAMINO-3-PHENYLPROPYL]-M-CHLOROTHIOBENZOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18ClNO2S
InChI InChI=1S/C18H18ClNO2S/c1-13(21)20-17(10-14-6-3-2-4-7-14)12-23-18(22)15-8-5-9-16(19)11-15/h2-9,11,17H,10,12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKey DLXWVRNASVKXFF-QGZVFWFLSA-N
Literature Reference Author R.A.AITKEN,D.P.ARMSTRONG,R.H.B.GALT,S.T.E.MESHER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,935(1997)
Literature Reference DOI 10.1039/a605539g
Molecular Weight 347.859 g/mol
Solvent CDCl3
Source File Reference UWRU9730