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3-ACETYL-1-PHENYL-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE

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3-ACETYL-1-PHENYL-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
SpectraBase Compound ID 1BPMdJrY8HV
InChI InChI=1S/C12H13N3O2/c1-9(16)12-13-8-7-11(17)15(14-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey XKKFHFJXPHOFAU-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JQ4ULGKgZV
Name 3-ACETYL-1-PHENYL-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-9(16)12-13-8-7-11(17)15(14-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey XKKFHFJXPHOFAU-UHFFFAOYSA-N
Literature Reference Author B.A.THAHER,J.A.ZAHRA,M.M.EL-ABADELAH,H.H.OTTO
Literature Reference Citation MH.CHEM.,135,435(2004)
Literature Reference DOI 10.1007/s00706-003-0092-3
Molecular Weight 231.254 g/mol
Solvent CDCl3
Source File Reference UWMZ11436