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5-Acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID BTph1BY8w7g
InChI InChI=1S/C12H12BrN3O4/c1-6-5-15(7(2)17)9-3-8(13)4-10(16(19)20)11(9)14-12(6)18/h3-4,6H,5H2,1-2H3,(H,14,18)
InChIKey ZSZCDDGAIWZUNN-UHFFFAOYSA-N
Mol Weight 342.15 g/mol
Molecular Formula C12H12BrN3O4
Exact Mass 341.001119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMsPUPWXQyy
Name 5-Acetyl-7-bromo-3-methyl-9-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CAS Registry Number 312530-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12BrN3O4
InChI InChI=1S/C12H12BrN3O4/c1-6-5-15(7(2)17)9-3-8(13)4-10(16(19)20)11(9)14-12(6)18/h3-4,6H,5H2,1-2H3,(H,14,18)
InChIKey ZSZCDDGAIWZUNN-UHFFFAOYSA-N
Molecular Weight 342.149 g/mol
SMILES N1C(C(CN(c2cc(cc(c12)N(=O)=O)Br)C(=O)C)C)=O
SPLASH splash10-052f-9380000000-c605f7ed0be6eab7e471
Source of Spectrum AD-0-2532-0
Synonyms 1-Acetyl-8-bromo-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one 1H-Benzo[b][1,4]-diazepin-2(3H)-one, 4,5-dihydro-5-acetyl-7-bromo-3-methyl-9-nitro- 8-Bromanyl-1-ethanoyl-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Wiley ID 1428114