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3-(2-Chlorophenyl)-1H-pyrazole-5-carboxylic acid, 2tms derivative
SpectraBase Compound ID ZS1J6nVoGm
InChI InChI=1S/C16H23ClN2O2Si2/c1-22(2,3)19-15(16(20)21-23(4,5)6)11-14(18-19)12-9-7-8-10-13(12)17/h7-11H,1-6H3
InChIKey AUQCSTIVZYCGAD-UHFFFAOYSA-N
Mol Weight 367.0 g/mol
Molecular Formula C16H23ClN2O2Si2
Exact Mass 366.098659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zhJ0i58LPo
Name 3-(2-Chlorophenyl)-1H-pyrazole-5-carboxylic acid, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 366.098658757 u
Formula C16H23ClN2O2Si2
InChI InChI=1S/C16H23ClN2O2Si2/c1-22(2,3)19-15(16(20)21-23(4,5)6)11-14(18-19)12-9-7-8-10-13(12)17/h7-11H,1-6H3
InChIKey AUQCSTIVZYCGAD-UHFFFAOYSA-N
Molecular Weight 366.995 g/mol
SMILES C1(Cl)=C(C=CC=C1)C1=NN(C(=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C