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Methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate, tms derivative
SpectraBase Compound ID BNinT29zXcc
InChI InChI=1S/C14H16Cl2N2O2Si/c1-20-14(19)13-8-12(17-18(13)21(2,3)4)10-6-5-9(15)7-11(10)16/h5-8H,1-4H3
InChIKey LQCIOMWGLIRVQY-UHFFFAOYSA-N
Mol Weight 343.29 g/mol
Molecular Formula C14H16Cl2N2O2Si
Exact Mass 342.03581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElSchlprmpU
Name Methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 342.035809696 u
Formula C14H16Cl2N2O2Si
InChI InChI=1S/C14H16Cl2N2O2Si/c1-20-14(19)13-8-12(17-18(13)21(2,3)4)10-6-5-9(15)7-11(10)16/h5-8H,1-4H3
InChIKey LQCIOMWGLIRVQY-UHFFFAOYSA-N
Molecular Weight 343.285 g/mol
SMILES C1(Cl)=C(C=CC(=C1)Cl)C1=NN(C(=C1)C(=O)OC)[Si](C)(C)C