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1-Benzyl-2-oxo-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid methyl ester
SpectraBase Compound ID IZUB9dO8khP
InChI InChI=1S/C15H17NO3/c1-19-15(18)13-9-5-6-10-16(14(13)17)11-12-7-3-2-4-8-12/h2-8,13H,9-11H2,1H3
InChIKey PQCQDIRHNGZRGJ-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFeAxB2yBPt
Name 1-Benzyl-2-oxo-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-benzyl-2-oxo-2,3,4,7-tetrahydro-1H-azepine-3-carboxylate
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Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-19-15(18)13-9-5-6-10-16(14(13)17)11-12-7-3-2-4-8-12/h2-8,13H,9-11H2,1H3
InChIKey PQCQDIRHNGZRGJ-UHFFFAOYSA-N
Molecular Weight 259.305 g/mol
SMILES C1(N(CC=CCC1C(=O)OC)Cc1ccccc1)=O
SPLASH splash10-0aor-1980000000-78c134fdabc71801bfb3
Source of Spectrum F-62-1784-18
Wiley ID 1632360