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(2E)-1-[5-Hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-3-phenylprop-2-en-1-one
SpectraBase Compound ID DYABDA4Dh7Y
InChI InChI=1S/C20H18N2O3/c1-25-17-10-7-16(8-11-17)14-22-20(24)18(13-21-22)19(23)12-9-15-5-3-2-4-6-15/h2-13,24H,14H2,1H3/b12-9+
InChIKey ILWFVAWWJFBZIN-FMIVXFBMSA-N
Mol Weight 334.38 g/mol
Molecular Formula C20H18N2O3
Exact Mass 334.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Z669ucOW56
Name (2E)-1-[5-Hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-3-phenylprop-2-en-1-one
Comments Computed using HOSE algorithm
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Exact Mass 334.131742445 u
Formula C20H18N2O3
InChI InChI=1S/C20H18N2O3/c1-25-17-10-7-16(8-11-17)14-22-20(24)18(13-21-22)19(23)12-9-15-5-3-2-4-6-15/h2-13,24H,14H2,1H3/b12-9+
InChIKey ILWFVAWWJFBZIN-FMIVXFBMSA-N
Molecular Weight 334.375 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(=O)C=1C=NN(C1O)CC=1C=CC(=CC1)OC