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3-(2'-TOLUYL-1',3',4'-OXADIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID DSflTSz6oNY
InChI InChI=1S/C25H19ClN4O2/c1-15-8-10-17(11-9-15)23-28-29-24(32-23)22-25(31)30(2)20-13-12-18(26)14-19(20)21(27-22)16-6-4-3-5-7-16/h3-14,22H,1-2H3
InChIKey OKPMNIOLWSAJNI-UHFFFAOYSA-N
Mol Weight 442.91 g/mol
Molecular Formula C25H19ClN4O2
Exact Mass 442.119654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lx87W8KpWsO
Name 3-(2'-TOLUYL-1',3',4'-OXADIAZOL-5'-YL)-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H19ClN4O2
InChI InChI=1S/C25H19ClN4O2/c1-15-8-10-17(11-9-15)23-28-29-24(32-23)22-25(31)30(2)20-13-12-18(26)14-19(20)21(27-22)16-6-4-3-5-7-16/h3-14,22H,1-2H3
InChIKey OKPMNIOLWSAJNI-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 442.904 g/mol
Solvent CDCl3
Source File Reference UWMS3386