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1-(2-Pyridinyl)-1H-pyrazole-4-carboxylic acid, tms derivative
SpectraBase Compound ID LtMf1QVXoSm
InChI InChI=1S/C12H15N3O2Si/c1-18(2,3)17-12(16)10-8-14-15(9-10)11-6-4-5-7-13-11/h4-9H,1-3H3
InChIKey NGYPBNGSBDRXII-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C12H15N3O2Si
Exact Mass 261.093353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQNXHsCIeTA
Name 1-(2-Pyridinyl)-1H-pyrazole-4-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 261.093353268 u
Formula C12H15N3O2Si
InChI InChI=1S/C12H15N3O2Si/c1-18(2,3)17-12(16)10-8-14-15(9-10)11-6-4-5-7-13-11/h4-9H,1-3H3
InChIKey NGYPBNGSBDRXII-UHFFFAOYSA-N
SMILES C1=NN(C=C1C(=O)O[Si](C)(C)C)C1=NC=CC=C1