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3-(3'-THIO-2'-ACETOXY-1',2',4'-TRIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID nyWkLVgXoW
InChI InChI=1S/C20H16ClN5O2S/c1-11(27)26-20(29)23-18(24-26)17-19(28)25(2)15-9-8-13(21)10-14(15)16(22-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H,23,24,29)
InChIKey VTZXYSHIPKRDFG-UHFFFAOYSA-N
Mol Weight 425.89 g/mol
Molecular Formula C20H16ClN5O2S
Exact Mass 425.071324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fLhUgVgjVS
Name 3-(3'-THIO-2'-ACETOXY-1',2',4'-TRIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16ClN5O2S
InChI InChI=1S/C20H16ClN5O2S/c1-11(27)26-20(29)23-18(24-26)17-19(28)25(2)15-9-8-13(21)10-14(15)16(22-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H,23,24,29)
InChIKey VTZXYSHIPKRDFG-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 425.892 g/mol
Solvent CF3COOD
Source File Reference UWMS3389