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(4E)-4-(3-methoxy-4-propoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

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(4E)-4-(3-methoxy-4-propoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID COd5hCKwpL7
InChI InChI=1S/C21H22N2O3/c1-4-12-26-19-11-10-16(14-20(19)25-3)13-18-15(2)22-23(21(18)24)17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3/b18-13+
InChIKey VROWNZSGTIPHBO-QGOAFFKASA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MnLdbjSO5F
Name (4E)-4-(3-Methoxy-4-propoxybenzylidene)-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 350.163042573 u
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-4-12-26-19-11-10-16(14-20(19)25-3)13-18-15(2)22-23(21(18)24)17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3/b18-13+
InChIKey VROWNZSGTIPHBO-QGOAFFKASA-N
Molecular Weight 350.418 g/mol
SMILES C1(\C(C(=NN1C1=CC=CC=C1)C)=C\C1=CC(OC)=C(C=C1)OCCC)=O