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(4E)-4-(2-allyloxybenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one
SpectraBase Compound ID DphxhYot2ti
InChI InChI=1S/C20H18N2O2/c1-3-13-24-19-12-8-7-9-16(19)14-18-15(2)21-22(20(18)23)17-10-5-4-6-11-17/h3-12,14H,1,13H2,2H3/b18-14+
InChIKey JBWXUBILWQQJDW-NBVRZTHBSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwWoCetQJxi
Name (4E)-4-(2-allyloxybenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one
Alternate Name(s) (4E)-4-[(2-allyloxyphenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one (4E)-4-[2-(allyloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (4E)-5-methyl-2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-3-pyrazolone (4E)-5-methyl-2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one
CAS Registry Number 112297-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c1-3-13-24-19-12-8-7-9-16(19)14-18-15(2)21-22(20(18)23)17-10-5-4-6-11-17/h3-12,14H,1,13H2,2H3/b18-14+
InChIKey JBWXUBILWQQJDW-NBVRZTHBSA-N
Molecular Weight 318.376 g/mol
SMILES C1(\C(C(=NN1c1ccccc1)C)=C\c1c(OCC=C)cccc1)=O
SPLASH splash10-02vi-4049000000-07b625c33c1f12de4e4c
Source of Spectrum J-53-817-22
Wiley ID 1318723