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1-Benzyl-1H-pyrazole-4-carboxylic acid, tms derivative
SpectraBase Compound ID 822YbTYbXGx
InChI InChI=1S/C14H18N2O2Si/c1-19(2,3)18-14(17)13-9-15-16(11-13)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKey QMXDNGBHVABVGT-UHFFFAOYSA-N
Mol Weight 274.39 g/mol
Molecular Formula C14H18N2O2Si
Exact Mass 274.113754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Crkfl66ZEXm
Name 1-Benzyl-1H-pyrazole-4-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 274.113754361 u
Formula C14H18N2O2Si
InChI InChI=1S/C14H18N2O2Si/c1-19(2,3)18-14(17)13-9-15-16(11-13)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKey QMXDNGBHVABVGT-UHFFFAOYSA-N
SMILES C1=NN(C=C1C(=O)O[Si](C)(C)C)CC1=CC=CC=C1