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2-(ETHOXY-PHENYL-AMINO)-3-OXO-N-PHENYL-THIOBUTYRAMIDE;CONFORMER-A
SpectraBase Compound ID GgbPwrayFzt
InChI InChI=1S/C18H20N2O2S/c1-3-22-18(14(2)21,20-16-12-8-5-9-13-16)17(23)19-15-10-6-4-7-11-15/h4-13,20H,3H2,1-2H3,(H,19,23)
InChIKey PVKKWNMJGHUVES-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PZHUox08gO
Name 2-(ETHOXY-PHENYL-AMINO)-3-OXO-N-PHENYL-THIOBUTYRAMIDE;CONFORMER-A
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-3-22-18(14(2)21,20-16-12-8-5-9-13-16)17(23)19-15-10-6-4-7-11-15/h4-13,20H,3H2,1-2H3,(H,19,23)
InChIKey PVKKWNMJGHUVES-UHFFFAOYSA-N
Literature Reference Author B.ZALESKA,R.SOCHA,M.CIECHANOWICZ-RUTKOWSKA,T.PILATI
Literature Reference Citation MH.CHEM.,131,1151(2000)
Literature Reference DOI 10.1007/s007060070022
Molecular Weight 328.429 g/mol
Solvent CDCl3
Source File Reference UWRU1410