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4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID 2q8yo7bOieR
InChI InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)12(16)14(10)2/h4-7,15H,3H2,1-2H3
InChIKey VAJBCYVKHVWEFR-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECpj20G5iPs
Name 4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid ethyl ester
Alternate Name(s) ethyl 4-hydroxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)12(16)14(10)2/h4-7,15H,3H2,1-2H3
InChIKey VAJBCYVKHVWEFR-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES OC1=C(N(C(c2c1cccc2)=O)C)C(=O)OCC
SPLASH splash10-0006-0920000000-de7810fff635d5b31b3c
Source of Spectrum F4-0-1972-1
Wiley ID 1619852