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5-Methyl-6-oxo-8-propa-1,2-dienyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 4HTWx1NId4V
InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3
InChIKey LJRIFLWERUHAIZ-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49nNSUcxqC
Name 5-Methyl-6-oxo-8-propa-1,2-dienyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-keto-5-methyl-8-propa-1,2-dienyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Ethyl 5-methyl-6-oxidanylidene-8-propa-1,2-dienyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Ethyl 5-methyl-6-oxo-8-propa-1,2-dienyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
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Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3
InChIKey LJRIFLWERUHAIZ-UHFFFAOYSA-N
Molecular Weight 323.352 g/mol
SMILES c12[n](-c3c(C(N(C2)C)=O)cc(cc3)C=C=C)cnc1C(=O)OCC
SPLASH splash10-01rj-0393000000-91d0dbf67373795d8679
Source of Spectrum E1-39-1933-4
Wiley ID 1598837