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(4E)-4-[4-(2-hydroxyethoxy)-3-methoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID DJNuSBbIUap
InChI InChI=1S/C20H20N2O4/c1-14-17(20(24)22(21-14)16-6-4-3-5-7-16)12-15-8-9-18(26-11-10-23)19(13-15)25-2/h3-9,12-13,23H,10-11H2,1-2H3/b17-12+
InChIKey DEUHTTNYBAOUPH-SFQUDFHCSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF6PMWzPv1U
Name (4E)-4-[4-(2-Hydroxyethoxy)-3-methoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-14-17(20(24)22(21-14)16-6-4-3-5-7-16)12-15-8-9-18(26-11-10-23)19(13-15)25-2/h3-9,12-13,23H,10-11H2,1-2H3/b17-12+
InChIKey DEUHTTNYBAOUPH-SFQUDFHCSA-N
Molecular Weight 352.390 g/mol
SMILES OCCOC=1C=CC(\C=C\2C(N(C=3C=CC=CC3)N=C2C)=O)=CC1OC