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quinoline-4-carboxylic acid, 1TMS
SpectraBase Compound ID 4DLegTsgRQE
InChI InChI=1S/C13H15NO2Si/c1-17(2,3)16-13(15)11-8-9-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKey KCZGQCTZAKTWHH-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 FGY26bzFxfz
Name quinoline-4-carboxylic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 245.087); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000691; 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)11-8-9-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKey KCZGQCTZAKTWHH-UHFFFAOYSA-N
Molecular Weight 245.353 g/mol
SMILES c1ccc2c(c1)c(ccn2)C(O[Si](C)(C)C)=O
SPLASH splash10-0fc0-0920000000-a5131abe4f482259cab5
Source of Spectrum FM-2019-691-0
Synonyms Cinchonic acid, 1TMS 4-Quinolinecarboxylic acid, 1TMS CINCHONINIC ACID, 1TMS 4-Carboxyquinoline, 1TMS Quinoline-4-carboxylate, 1TMS Quinoline-4-carboxylic acid, 1TMS Trimethylsilyl quinoline-4-carboxylate
Wiley ID 1818369