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1-Phenyl-1H-pyrazole-5-carboxylic acid, tms derivative
SpectraBase Compound ID 9aiZddTfEn
InChI InChI=1S/C13H16N2O2Si/c1-18(2,3)17-13(16)12-9-10-14-15(12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey PAKBZIANAXHAOZ-UHFFFAOYSA-N
Mol Weight 260.37 g/mol
Molecular Formula C13H16N2O2Si
Exact Mass 260.098104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x8BOYiPFUV
Name 1-Phenyl-1H-pyrazole-5-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 260.098104296 u
Formula C13H16N2O2Si
InChI InChI=1S/C13H16N2O2Si/c1-18(2,3)17-13(16)12-9-10-14-15(12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey PAKBZIANAXHAOZ-UHFFFAOYSA-N
Molecular Weight 260.368 g/mol
SMILES C1=C(N2C(C(O[Si](C)(C)C)=O)=CC=N2)C=CC=C1