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3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid ethyl ester
SpectraBase Compound ID CatJ4OmbqDg
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10-9-6-4-3-5-8(9)7-13-11(10)14/h7H,2-6H2,1H3,(H,13,14)
InChIKey PEDZYRCOCXYBFM-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66pZLXHSXD
Name 3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid ethyl ester
Alternate Name(s) 3-Oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid ethyl ester Ethyl 3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate Ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate Isoquinoline-4-carboxylic acid, 3-oxo-2,3,5,6,7,8-hexahydro-, ethyl ester
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10-9-6-4-3-5-8(9)7-13-11(10)14/h7H,2-6H2,1H3,(H,13,14)
InChIKey PEDZYRCOCXYBFM-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES N1C=C2C(=C(C1=O)C(=O)OCC)CCCC2
SPLASH splash10-00or-7900000000-84abf47b68cc1d09d5d7
Wiley ID 1438860