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(4S)-5-Acetyl-8-bromo-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
SpectraBase Compound ID 4hVtm4LjLH8
InChI InChI=1S/C17H14BrN3O4/c1-10(22)20-15-7-4-12(18)8-14(15)19-17(23)9-16(20)11-2-5-13(6-3-11)21(24)25/h2-8,16H,9H2,1H3,(H,19,23)/t16-/m0/s1
InChIKey OUYXLRRPPUHXLT-INIZCTEOSA-N
Mol Weight 404.22 g/mol
Molecular Formula C17H14BrN3O4
Exact Mass 403.016769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ibb66ZllaJ5
Name (4S)-5-Acetyl-8-bromo-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
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Formula C17H14BrN3O4
InChI InChI=1S/C17H14BrN3O4/c1-10(22)20-15-7-4-12(18)8-14(15)19-17(23)9-16(20)11-2-5-13(6-3-11)21(24)25/h2-8,16H,9H2,1H3,(H,19,23)/t16-/m0/s1
InChIKey OUYXLRRPPUHXLT-INIZCTEOSA-N
Literature Reference DOI 10.1002/adsc.201000547
Molecular Weight 404.220 g/mol
SMILES N1c2cc(ccc2N([C@@](CC1=O)(c1ccc(cc1)[N+](=O)[O-])[H])C(=O)C)Br
SPLASH splash10-03dj-2778900000-b6ff7fc3438c0a61590f
Source of Spectrum ASC-352-2629/SM5-5f
Synonyms (S)-5-acetyl-8-bromo-4-(4-nitrophenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Wiley ID 1764014