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 Google Search
Mol Weight	249.27 g/mol
Molecular Formula	C12H15N3O3
Exact Mass	249.111341 g/mol

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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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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