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8-Ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID ENdpB0FxSFA
InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
InChIKey YTUMMZANIYQNOM-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C19H19N3O3
Exact Mass 337.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32VyvtJVsYU
Name 8-Ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
Alternate Name(s) 8-Ethynyl-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester tert-Butyl 8-ethynyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate tert-Butyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
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Formula C19H19N3O3
InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
InChIKey YTUMMZANIYQNOM-UHFFFAOYSA-N
Molecular Weight 337.379 g/mol
SMILES c12[n](-c3c(C(N(C2)C)=O)cc(cc3)C#C)cnc1C(=O)OC(C)(C)C
SPLASH splash10-01q0-0090000000-2d655a8221dbb79b5f2f
Source of Spectrum E1-39-1933-9
Wiley ID 1598833