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3-(7-Methoxy-2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2H-pyrazole
SpectraBase Compound ID 57dbNQnFPhp
InChI InChI=1S/C18H16N2O4/c1-21-13-5-3-11(4-6-13)14-9-19-20-17(14)12-7-15(22-2)18-16(8-12)23-10-24-18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKey NSDDVUKEERLUQI-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C18H16N2O4
Exact Mass 324.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIfJr3DJxd0
Name 3-(7-Methoxy-2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 324.111006999 u
Formula C18H16N2O4
InChI InChI=1S/C18H16N2O4/c1-21-13-5-3-11(4-6-13)14-9-19-20-17(14)12-7-15(22-2)18-16(8-12)23-10-24-18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKey NSDDVUKEERLUQI-UHFFFAOYSA-N
Molecular Weight 324.336 g/mol
SMILES C1(=C(C=NN1)C1=CC=C(OC)C=C1)C1=CC(OC)=C2C(=C1)OCO2