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(4E)-4-(2-allyloxybenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hhM2rJILhY
Name (4E)-4-(2-Allyloxybenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.136827826 u
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(=NN1C1=CC=CC=C1)C)=C\C=1C(OCC=C)=CC=CC1)=O