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2-(ETHOXY-PHENYL-AMINO)-3-OXO-N-(4-CHLOROPHENYL)-THIOBUTYRAMIDE;CONFORMER-A
SpectraBase Compound ID ADMT9kPcNcI
InChI InChI=1S/C18H19ClN2O2S/c1-3-23-18(13(2)22,21-16-7-5-4-6-8-16)17(24)20-15-11-9-14(19)10-12-15/h4-12,21H,3H2,1-2H3,(H,20,24)
InChIKey FJGLGCJMNNHXRH-UHFFFAOYSA-N
Mol Weight 362.88 g/mol
Molecular Formula C18H19ClN2O2S
Exact Mass 362.085577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XssgECKlzV
Name 2-(ETHOXY-PHENYL-AMINO)-3-OXO-N-(4-CHLOROPHENYL)-THIOBUTYRAMIDE;CONFORMER-B
Compound Number 3D
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Formula C18H19ClN2O2S
InChI InChI=1S/C18H19ClN2O2S/c1-3-23-18(13(2)22,21-16-7-5-4-6-8-16)17(24)20-15-11-9-14(19)10-12-15/h4-12,21H,3H2,1-2H3,(H,20,24)
InChIKey FJGLGCJMNNHXRH-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 362.874 g/mol
Solvent CDCl3
Source File Reference UWRU1417