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3-[2'-(CARBEMETHOXYMETHYLMERCAPTO)-1',3',4'-OXADIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE

View entire compound with spectra: 1 NMR

3-[2'-(CARBEMETHOXYMETHYLMERCAPTO)-1',3',4'-OXADIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID xEyxkzHueG
InChI InChI=1S/C22H19ClN4O4S/c1-3-30-17(28)12-32-22-26-25-20(31-22)19-21(29)27(2)16-10-9-14(23)11-15(16)18(24-19)13-7-5-4-6-8-13/h4-11,19H,3,12H2,1-2H3
InChIKey LNFGEUJLYLZSNB-UHFFFAOYSA-N
Mol Weight 470.93 g/mol
Molecular Formula C22H19ClN4O4S
Exact Mass 470.081554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZqBzLAInrA
Name 3-[2'-(CARBEMETHOXYMETHYLMERCAPTO)-1',3',4'-OXADIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClN4O4S
InChI InChI=1S/C22H19ClN4O4S/c1-3-30-17(28)12-32-22-26-25-20(31-22)19-21(29)27(2)16-10-9-14(23)11-15(16)18(24-19)13-7-5-4-6-8-13/h4-11,19H,3,12H2,1-2H3
InChIKey LNFGEUJLYLZSNB-UHFFFAOYSA-N
Literature Reference Author M.A.BERGHOT
Literature Reference Citation J.CHIN.CHEM.SOC.,48,913(2001)
Literature Reference DOI 10.1002/jccs.200100133
Molecular Weight 470.930 g/mol
Solvent CF3COOD
Source File Reference UWMS3382