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3-(2'-THIO-1',3',4'-OXADIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID DNy1UEfZtiy
InChI InChI=1S/C18H13ClN4O2S/c1-23-13-8-7-11(19)9-12(13)14(10-5-3-2-4-6-10)20-15(17(23)24)16-21-22-18(26)25-16/h2-9,15H,1H3,(H,22,26)
InChIKey LIFRSGTWSGKGDW-UHFFFAOYSA-N
Mol Weight 384.84 g/mol
Molecular Formula C18H13ClN4O2S
Exact Mass 384.044775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wRPbJGlmMl
Name 3-(2'-THIO-1',3',4'-OXADIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13ClN4O2S
InChI InChI=1S/C18H13ClN4O2S/c1-23-13-8-7-11(19)9-12(13)14(10-5-3-2-4-6-10)20-15(17(23)24)16-21-22-18(26)25-16/h2-9,15H,1H3,(H,22,26)
InChIKey LIFRSGTWSGKGDW-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 384.840 g/mol
Solvent DMSO-D6
Source File Reference UWMS3380