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1-keto-3,4-dihydro-2H-isoquinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID KEx4T0f07JG
InChI InChI=1S/C12H13NO3/c1-2-16-12(15)10-7-8-5-3-4-6-9(8)11(14)13-10/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKey SWDLVVJLTXRNTD-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36MiwexoI7x
Name 1-keto-3,4-dihydro-2H-isoquinoline-3-carboxylic acid ethyl ester
Alternate Name(s) 1-Oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid ethyl ester Ethyl 1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylate Ethyl 1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-2-16-12(15)10-7-8-5-3-4-6-9(8)11(14)13-10/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKey SWDLVVJLTXRNTD-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES N1C(Cc2c(C1=O)cccc2)C(=O)OCC
SPLASH splash10-0002-2900000000-1c841335db6dc7b04bde
Source of Spectrum J-64-7841-16
Wiley ID 1531223