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5-keto-6,7,8,9-tetrahydropyridazin[4,3-c]azepine-3-carboxylic acid propyl ester
SpectraBase Compound ID 4mQyhVJM6Rt
InChI InChI=1S/C12H15N3O3/c1-2-6-18-12(17)10-7-8-9(14-15-10)4-3-5-13-11(8)16/h7H,2-6H2,1H3,(H,13,16)
InChIKey QMCQGOCOLKTQGI-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C12H15N3O3
Exact Mass 249.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ICbkNaSbB7
Name 5-keto-6,7,8,9-tetrahydropyridazin[4,3-c]azepine-3-carboxylic acid propyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C12H15N3O3
InChI InChI=1S/C12H15N3O3/c1-2-6-18-12(17)10-7-8-9(14-15-10)4-3-5-13-11(8)16/h7H,2-6H2,1H3,(H,13,16)
InChIKey QMCQGOCOLKTQGI-UHFFFAOYSA-N
Molecular Weight 249.270 g/mol
SMILES N1CCCc2c(C1=O)cc(nn2)C(=O)OCCC
SPLASH splash10-03di-0900000000-9345240cd0ce497d6e00
Source of Spectrum C5-2003-2351-3
Synonyms 5-oxo-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylic acid propyl ester propyl 5-oxidanylidene-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate propyl 5-oxo-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate
Wiley ID 1616057