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4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
SpectraBase Compound ID FcSj9uPg7xs
InChI InChI=1S/C19H22N2O4/c1-22-13-6-7-14(18(10-13)24-3)16-11-15(20-21-16)12-5-8-17(23-2)19(9-12)25-4/h5-10,16,21H,11H2,1-4H3
InChIKey SQWRRKZVSQRPNY-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KU5oDt4Q7mF
Name 4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 342.157957192 u
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-22-13-6-7-14(18(10-13)24-3)16-11-15(20-21-16)12-5-8-17(23-2)19(9-12)25-4/h5-10,16,21H,11H2,1-4H3
InChIKey SQWRRKZVSQRPNY-UHFFFAOYSA-N
Molecular Weight 342.395 g/mol
SMILES C1(=NNC(C1)C=1C(=CC(=CC1)OC)OC)C=1C=C(C(=CC1)OC)OC