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4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID 3eVy2xYy8al
InChI InChI=1S/C12H11NO4/c1-13-9(12(16)17-2)10(14)7-5-3-4-6-8(7)11(13)15/h3-6,14H,1-2H3
InChIKey XWTFDPRPTPQOOQ-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuWDwkr42Dd
Name 4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester
Alternate Name(s) methyl 4-hydroxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarboxylate 4-hydroxy-2-methyl-1-oxo-3-isoquinolinecarboxylic acid methyl ester methyl 4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxylate methyl 4-hydroxy-2-methyl-1-oxo-isoquinoline-3-carboxylate methyl 2-methyl-4-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-13-9(12(16)17-2)10(14)7-5-3-4-6-8(7)11(13)15/h3-6,14H,1-2H3
InChIKey XWTFDPRPTPQOOQ-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES OC1=C(N(C(c2c1cccc2)=O)C)C(=O)OC
SPLASH splash10-0006-0920000000-e887f18289af0d85b254
Source of Spectrum F4-0-1972-1
Wiley ID 1619853