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8-CHLORO-1,9B-DIHYDRO-3-(N,N-DIMETHYLCARBAMOYL)-5-METHYL-9B-PHENYL-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
SpectraBase Compound ID 4xkYEJohqo7
InChI InChI=1S/C20H18Cl3N3O3/c1-24(2)18(28)29-17-16(27)25(3)15-10-9-13(21)11-14(15)19(20(22,23)26(17)19)12-7-5-4-6-8-12/h4-11,17H,1-3H3/t17-,19+,26?/m1/s1
InChIKey KKJMOKLDOLBGQK-CYORASJTSA-N
Mol Weight 454.74 g/mol
Molecular Formula C20H18Cl3N3O3
Exact Mass 453.041375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5J9jI6dN2YN
Name 8-CHLORO-1,9B-DIHYDRO-3-(N,N-DIMETHYLCARBAMOYL)-5-METHYL-9B-PHENYL-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18Cl3N3O3
InChI InChI=1S/C20H18Cl3N3O3/c1-24(2)18(28)29-17-16(27)25(3)15-10-9-13(21)11-14(15)19(20(22,23)26(17)19)12-7-5-4-6-8-12/h4-11,17H,1-3H3/t17-,19+,26?/m1/s1
InChIKey KKJMOKLDOLBGQK-CYORASJTSA-N
Literature Reference Author A.CHIMIRRI,S.GRASSO,A.M.MONFORTE,G.ROMEO,M.ZAPPALA
Literature Reference Citation HETEROCYCLES,36,691(1993)
Literature Reference DOI 10.3987/COM-92-6143
Molecular Weight 454.740 g/mol
Solvent CDCl3
Source File Reference UWCP7817