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5H-Pyrrolo[1,2-a]azepine-1-carboxylic acid, 2-amino-3-cyano-6,7,8,9-tetrahydro-, ethyl ester
SpectraBase Compound ID 3jYjoyDcqPt
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-6-4-3-5-7-16(9)10(8-14)12(11)15/h2-7,15H2,1H3
InChIKey ULYKTWOLVHGAHQ-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aLRn2h1aqV
Name 5H-Pyrrolo[1,2-a]azepine-1-carboxylic acid, 2-amino-3-cyano-6,7,8,9-tetrahydro-, ethyl ester
Alternate Name(s) Ethyl 2-amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate 2-Amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid ethyl ester Ethyl 2-azanyl-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate
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Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-6-4-3-5-7-16(9)10(8-14)12(11)15/h2-7,15H2,1H3
InChIKey ULYKTWOLVHGAHQ-UHFFFAOYSA-N
Molecular Weight 247.298 g/mol
SMILES Nc1c(C#N)[n]2c(c1C(=O)OCC)CCCCC2
SPLASH splash10-0002-3690000000-53c88a4f87b547320bba
Source of Spectrum IY-3-108-0
Wiley ID 1718056