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quinaldic acid, 1TMS
SpectraBase Compound ID Kq3kmDSn4Z
InChI InChI=1S/C13H15NO2Si/c1-17(2,3)16-13(15)12-9-8-10-6-4-5-7-11(10)14-12/h4-9H,1-3H3
InChIKey OWKSMABGDRGKBJ-UHFFFAOYSA-N
Mol Weight 245.35 g/mol
Molecular Formula C13H15NO2Si
Exact Mass 245.087205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQNGfbBSpcd
Name quinaldic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 245.087); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000839; Note: The molecular formula of the structure shown is C10H7NO2 - which differs from the formula reported for the mass spectrum (C13H15NO2Si)
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Formula C13H15NO2Si
InChI InChI=1S/C13H15NO2Si/c1-17(2,3)16-13(15)12-9-8-10-6-4-5-7-11(10)14-12/h4-9H,1-3H3
InChIKey OWKSMABGDRGKBJ-UHFFFAOYSA-N
Molecular Weight 245.353 g/mol
SMILES c1ccc2c(c1)ccc(C(O[Si](C)(C)C)=O)n2
SPLASH splash10-0fc0-0930000000-f7cbe08a3c5304b3ab95
Source of Spectrum FM-2019-839-0
Synonyms QUINALDIC ACID, 1TMS Quinaldinic acid, 1TMS Quinaldate, 1TMS 2-Quinolinecarboxylic acid, 1TMS 2-Carboxyquinoline, 1TMS 2-Quinolinecarboxylate, 1TMS quinoline-2-carboxylic acid, 1TMS Trimethylsilyl quinoline-2-carboxylate
Wiley ID 1818513