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4-Hydroxyquinoline-2-carboxylic acid, 2TMS
SpectraBase Compound ID Bh1yBefdF0Q
InChI InChI=1S/C16H23NO3Si2/c1-21(2,3)17-13-10-8-7-9-12(13)15(18)11-14(17)16(19)20-22(4,5)6/h7-11H,1-6H3
InChIKey DTLPHQWBQGKSGX-UHFFFAOYSA-N
Mol Weight 333.53 g/mol
Molecular Formula C16H23NO3Si2
Exact Mass 333.121647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUVAE73Ui2E
Name 4-Hydroxyquinoline-2-carboxylic acid, 2TMS
Comments Derivatization type: 2 TMS (mass: 333.122); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000257; Note: The molecular formula of the structure shown is C10H7NO3 - which differs from the formula reported for the mass spectrum (C16H23NO3Si2)
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Formula C16H23NO3Si2
InChI InChI=1S/C16H23NO3Si2/c1-21(2,3)17-13-10-8-7-9-12(13)15(18)11-14(17)16(19)20-22(4,5)6/h7-11H,1-6H3
InChIKey DTLPHQWBQGKSGX-UHFFFAOYSA-N
Molecular Weight 333.534 g/mol
SMILES c1ccc2c(c1)C(C=C(C(=O)O[Si](C)(C)C)N2[Si](C)(C)C)=O
SPLASH splash10-00lr-1893000000-f00957df67bc306e12ac
Source of Spectrum FM-2019-257-0
Synonyms Kynurenic acid, 2TMS Kynurenate, 2TMS Quinurenic acid, 2TMS Kinurenic acid, 2TMS Kynuronic acid, 2TMS Transtorine, 2TMS 4-Oxo-1H-quinoline-2-carboxylic acid, 2TMS Trimethylsilyl 4-oxo-1-(trimethylsilyl)-1,4-dihydroquinoline-2-carboxylate
Wiley ID 1817946