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Ethyl 5-oxo1,2,3,4-tetrahydrobenzo[b]azepine-3-carboxylate
SpectraBase Compound ID HIOqNflGjWZ
InChI InChI=1S/C13H15NO3/c1-2-17-13(16)9-7-12(15)10-5-3-4-6-11(10)14-8-9/h3-6,9,14H,2,7-8H2,1H3
InChIKey NGELUSSCCZPYGX-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANhi8vrmF0F
Name Ethyl 5-oxo1,2,3,4-tetrahydrobenzo[b]azepine-3-carboxylate
Alternate Name(s) Ethyl 5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-3-carboxylate 5-Oxo-1,2,3,4-tetrahydro-1-benzazepine-3-carboxylic acid ethyl ester Ethyl 5-oxo-1,2,3,4-tetrahydro-1-benzazepine-3-carboxylate Ethyl 5-oxidanylidene-1,2,3,4-tetrahydro-1-benzazepine-3-carboxylate
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Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-17-13(16)9-7-12(15)10-5-3-4-6-11(10)14-8-9/h3-6,9,14H,2,7-8H2,1H3
InChIKey NGELUSSCCZPYGX-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES N1CC(CC(c2c1cccc2)=O)C(=O)OCC
SPLASH splash10-001i-0920000000-c874a41b168d149c17ff
Source of Spectrum AT-34-7712-3
Wiley ID 852648