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(4Z,2'E)-5-tert-butyl-4-(3,7-dimethyl-2,6-octadienylidene)-2-phenyl-2,4-dihydropyrazol-3-one
SpectraBase Compound ID GTxkLqF1CxU
InChI InChI=1S/C23H30N2O/c1-17(2)11-10-12-18(3)15-16-20-21(23(4,5)6)24-25(22(20)26)19-13-8-7-9-14-19/h7-9,11,13-16H,10,12H2,1-6H3/b18-15-,20-16+
InChIKey QNWXACONMWFVOU-LROFUHNISA-N
Mol Weight 350.51 g/mol
Molecular Formula C23H30N2O
Exact Mass 350.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DM9PfTR8ROF
Name (4Z,2'E)-5-tert-butyl-4-(3,7-dimethyl-2,6-octadienylidene)-2-phenyl-2,4-dihydropyrazol-3-one
CAS Registry Number 112297-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O
InChI InChI=1S/C23H30N2O/c1-17(2)11-10-12-18(3)15-16-20-21(23(4,5)6)24-25(22(20)26)19-13-8-7-9-14-19/h7-9,11,13-16H,10,12H2,1-6H3/b18-15-,20-16+
InChIKey QNWXACONMWFVOU-LROFUHNISA-N
Molecular Weight 350.506 g/mol
SMILES C1(\C(C(=NN1c1ccccc1)C(C)(C)C)=C\C=C/(CCC=C(C)C)C)=O
SPLASH splash10-014i-0094000000-4eec3bb96e556580ec20
Source of Spectrum J-53-818-27
Synonyms (4E)-5-tert-butyl-4-[(2Z)-3,7-dimethyl-2,6-octadienylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Wiley ID 1342312