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2-ACETYL-4-(4-CHLOROPHENYL)-1,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPIN-5-ONE
SpectraBase Compound ID 5gvbJ4BzuFm
InChI InChI=1S/C16H12ClN3O2/c1-10(21)15-18-14-5-3-2-4-13(14)16(22)20(19-15)12-8-6-11(17)7-9-12/h2-9H,1H3,(H,18,19)
InChIKey IGAMJLVIZMSSKK-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C16H12ClN3O2
Exact Mass 313.061804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsrPC7sWeMa
Name 2-ACETYL-4-(4-CHLOROPHENYL)-1,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPIN-5-ONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12ClN3O2
InChI InChI=1S/C16H12ClN3O2/c1-10(21)15-18-14-5-3-2-4-13(14)16(22)20(19-15)12-8-6-11(17)7-9-12/h2-9H,1H3,(H,18,19)
InChIKey IGAMJLVIZMSSKK-UHFFFAOYSA-N
Literature Reference Author B.A.A.THAHER,J.A.ZAHRA,M.M.EL-ABADALEH
Literature Reference Citation J.HETCYCL.CHEM.,39,901(2002)
Literature Reference DOI 10.1002/jhet.5570390508
Molecular Weight 313.743 g/mol
Solvent CDCl3
Source File Reference UWSI19142