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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(4-chloro-3-nitro)-phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID G00Vkzbsk4J
InChI InChI=1S/C21H20ClN3O3/c1-21(2)10-16-19(18(26)11-21)20(24-15-6-4-3-5-14(15)23-16)12-7-8-13(22)17(9-12)25(27)28/h3-9,20,23-24H,10-11H2,1-2H3
InChIKey IZXCKXPPSFREQV-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxfiojYg0CA
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(4-chloro-3-nitro)-phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClN3O3
InChI InChI=1S/C21H20ClN3O3/c1-21(2)10-16-19(18(26)11-21)20(24-15-6-4-3-5-14(15)23-16)12-7-8-13(22)17(9-12)25(27)28/h3-9,20,23-24H,10-11H2,1-2H3
InChIKey IZXCKXPPSFREQV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 397.862 g/mol
SMILES N1C(C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)c1cc(c(cc1)Cl)[N+](=O)[O-]
SPLASH splash10-0aou-9120000000-35152a5f65ec91355772
Source of Spectrum Y2-39-1232-3i
Synonyms 11-(4-chloro-3-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Wiley ID 1804592