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5-Methyl-2-[5'-(N-(p-methylphenyl)amino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID IUYjB5KZrPh
InChI InChI=1S/C20H21NO3/c1-13-4-7-17(8-5-13)21-15(3)6-9-18(22)11-16-12-19(23)14(2)10-20(16)24/h4-8,10,12,21H,9,11H2,1-3H3/b15-6+
InChIKey APIGUAKSGWYDGI-GIDUJCDVSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33e89mOmTQ
Name 5-Methyl-2-[5'-(N-(p-methylphenyl)amino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione
Alternate Name(s) 2-Methyl-5-[(4E)-2-oxo-5-(4-toluidino)-4-hexenyl]benzo-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-13-4-7-17(8-5-13)21-15(3)6-9-18(22)11-16-12-19(23)14(2)10-20(16)24/h4-8,10,12,21H,9,11H2,1-3H3/b15-6+
InChIKey APIGUAKSGWYDGI-GIDUJCDVSA-N
Molecular Weight 323.392 g/mol
SMILES N(\C(=C\CC(CC1=CC(=O)C(=CC1=O)C)=O)C)c1ccc(cc1)C
SPLASH splash10-00ec-7900000000-bf38c9fb004ed833ae39
Source of Spectrum D8-327-153-11
Wiley ID 1515149