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3-(3'-AMINO-3'-THIO-1',2',4'-TRIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID HBCx2NgD3ao
InChI InChI=1S/C18H14ClN5OS/c1-24-13-8-7-11(19)9-12(13)14(10-5-3-2-4-6-10)20-15(17(24)25)16-21-18(26)23-22-16/h2-9,15H,1H3,(H2,21,22,23,26)
InChIKey BIJSQFCCQRAKEG-UHFFFAOYSA-N
Mol Weight 383.86 g/mol
Molecular Formula C18H14ClN5OS
Exact Mass 383.060759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVMMRL2XsSF
Name 3-(3'-AMINO-3'-THIO-1',2',4'-TRIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14ClN5OS
InChI InChI=1S/C18H14ClN5OS/c1-24-13-8-7-11(19)9-12(13)14(10-5-3-2-4-6-10)20-15(17(24)25)16-21-18(26)23-22-16/h2-9,15H,1H3,(H2,21,22,23,26)
InChIKey BIJSQFCCQRAKEG-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 383.855 g/mol
Solvent CF3COOD
Source File Reference UWMS3383