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3-[2'-THIO-3'-(N,N-DIMETHYLAMINEMETHYL)-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'-THIO-3'-(N,N-DIMETHYLAMINEMETHYL)-1',3',4'-OXADIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID AubSL9BbtmJ
InChI InChI=1S/C21H20ClN5O2S/c1-25(2)12-27-21(30)29-19(24-27)18-20(28)26(3)16-10-9-14(22)11-15(16)17(23-18)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKey IFHPOJHPKFYTEE-UHFFFAOYSA-N
Mol Weight 441.94 g/mol
Molecular Formula C21H20ClN5O2S
Exact Mass 441.102624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTBIIIkNRrg
Name 3-[2'-THIO-3'-(N,N-DIMETHYLAMINEMETHYL)-1',3',4'-OXADIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20ClN5O2S
InChI InChI=1S/C21H20ClN5O2S/c1-25(2)12-27-21(30)29-19(24-27)18-20(28)26(3)16-10-9-14(22)11-15(16)17(23-18)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKey IFHPOJHPKFYTEE-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 441.935 g/mol
Solvent DMSO-D6
Source File Reference UWMS3381