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3-Isoquinolinecarboxylic acid, 2-oxide

View entire compound with spectra: 1 MS (GC)

3-Isoquinolinecarboxylic acid, 2-oxide
SpectraBase Compound ID uyJnDgakyz
InChI InChI=1S/C10H7NO3/c12-10(13)9-5-7-3-1-2-4-8(7)6-11(9)14/h1-6H,(H,12,13)
InChIKey CQCZHZGOXOWKAW-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C10H7NO3
Exact Mass 189.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zoRcWekj3l
Name 3-Isoquinolinecarboxylic acid, 2-oxide
Alternate Name(s) 3-Carboxyisoquinoline 2-oxide Isoquinoline-3-carboxylic acid 2-oxide 2-Oxido-3-isoquinolin-2-iumcarboxylic acid 2-Oxidanidylisoquinolin-2-ium-3-carboxylic acid
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Formula C10H7NO3
InChI InChI=1S/C10H7NO3/c12-10(13)9-5-7-3-1-2-4-8(7)6-11(9)14/h1-6H,(H,12,13)
InChIKey CQCZHZGOXOWKAW-UHFFFAOYSA-N
Molecular Weight 189.170 g/mol
SMILES OC(=O)c1cc2ccccc2c[n+]1[O-]
SPLASH splash10-0005-7900000000-5b3b1aa2b81350f7dc27
Source of Spectrum JX-2015-5-148
Wiley ID 1727006