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SMAQTXRPPCAWTK-UHFFFAOYSA-N
SpectraBase Compound ID 3CDxpXsSblb
InChI InChI=1S/C11H9NO3/c13-10(14)7-12-6-5-8-3-1-2-4-9(8)11(12)15/h1-6H,7H2,(H,13,14)
InChIKey SMAQTXRPPCAWTK-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C11H9NO3
Exact Mass 203.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DtM3onOP2C
Name 2-(1-keto-2-isoquinolyl)acetic acid
CAS Registry Number 59139-93-4
Comments Less than 3 mono-isotopic peaks
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Formula C11H9NO3
InChI InChI=1S/C11H9NO3/c13-10(14)7-12-6-5-8-3-1-2-4-9(8)11(12)15/h1-6H,7H2,(H,13,14)
InChIKey SMAQTXRPPCAWTK-UHFFFAOYSA-N
Molecular Weight 203.197 g/mol
SMILES OC(CN1C(c2ccccc2C=C1)=O)=O
SPLASH splash10-0udi-0090000000-56b05522fab965e18ae0
Source of Spectrum J-44-979-0
Synonyms 2-(1-oxidanylideneisoquinolin-2-yl)ethanoic acid 2-(1-oxo-2-isoquinolinyl)acetic acid 2-(1-oxo-2-isoquinolyl)acetic acid 2-(1-oxoisoquinolin-2-yl)acetic acid
Wiley ID 1200744