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CEOGJQXGDGWDEQ-UHFFFAOYSA-N
SpectraBase Compound ID I6KV8NcM9sF
InChI InChI=1S/C16H17N3O/c17-11-14-13(12-6-2-1-3-7-12)10-15(20)19-9-5-4-8-18-16(14)19/h1-3,6-7,13,18H,4-5,8-10H2
InChIKey CEOGJQXGDGWDEQ-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C16H17N3O
Exact Mass 267.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6E0fjbbf1h
Name 7-Oxo-9-phenyl-1,2,3,4,5,7,8,9-octahydro-1H-pyrido[1,2-a][1,3]diazepine10-carbonitrile
Alternate Name(s) 7-oxo-9-phenyl-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepine-10-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H17N3O
InChI InChI=1S/C16H17N3O/c17-11-14-13(12-6-2-1-3-7-12)10-15(20)19-9-5-4-8-18-16(14)19/h1-3,6-7,13,18H,4-5,8-10H2
InChIKey CEOGJQXGDGWDEQ-UHFFFAOYSA-N
Molecular Weight 267.332 g/mol
SMILES N1CCCCN2C(CC(C(=C12)C#N)c1ccccc1)=O
SPLASH splash10-014l-0490000000-dfee6e9245111cebd6e8
Source of Spectrum H1-41-2178-6
Wiley ID 757454