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3-(Benzo[D][1,3]dioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, tms

View entire compound with spectra: 1 NMR

3-(Benzo[D][1,3]dioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, tms
SpectraBase Compound ID ELYEqaS9S1L
InChI InChI=1S/C15H18N2O4Si/c1-17-12(15(18)21-22(2,3)4)8-11(16-17)10-5-6-13-14(7-10)20-9-19-13/h5-8H,9H2,1-4H3
InChIKey OKKCSTFBDWTRHN-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C15H18N2O4Si
Exact Mass 318.103584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BogDxIGoHzE
Name 3-(Benzo[D][1,3]dioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 318.103583599 u
Formula C15H18N2O4Si
InChI InChI=1S/C15H18N2O4Si/c1-17-12(15(18)21-22(2,3)4)8-11(16-17)10-5-6-13-14(7-10)20-9-19-13/h5-8H,9H2,1-4H3
InChIKey OKKCSTFBDWTRHN-UHFFFAOYSA-N
Molecular Weight 318.404 g/mol
SMILES C(O[Si](C)(C)C)(=O)C1=CC(C2=CC3=C(C=C2)OCO3)=NN1C