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ETHYL-ISOQUINOLINE-3-CARBOXYLATE
SpectraBase Compound ID 6IJlCFO5P2f
InChI InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
InChIKey IFSCYCNNAIADLI-UHFFFAOYSA-N
Mol Weight 201.22 g/mol
Molecular Formula C12H11NO2
Exact Mass 201.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Jc0kvPuR2s
Name Isoquinoline-3-carboxylic acid ethyl ester
Alternate Name(s) 3-isoquinolinecarboxylic acid ethyl ester Ethyl 3-isoquinolinecarboxylate Ethyl isoquinoline-3-carboxylate
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Formula C12H11NO2
InChI InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
InChIKey IFSCYCNNAIADLI-UHFFFAOYSA-N
Molecular Weight 201.225 g/mol
SMILES c1nc(cc2ccccc12)C(=O)OCC
SPLASH splash10-004i-0900000000-d629f07956e2eed825da
Source of Spectrum KD-12-1192-4
Wiley ID 1634396