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5-Methyl-2-[5'-(N-benzylamino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 89cGdGFl8kt
InChI InChI=1S/C20H21NO3/c1-14-10-20(24)17(12-19(14)23)11-18(22)9-8-15(2)21-13-16-6-4-3-5-7-16/h3-8,10,12,21H,9,11,13H2,1-2H3/b15-8+
InChIKey SPVUAPFJLMJJQS-OVCLIPMQSA-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 ES5cQudmbpv
Name 5-Methyl-2-[5'-(N-benzylamino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-14-10-20(24)17(12-19(14)23)11-18(22)9-8-15(2)21-13-16-6-4-3-5-7-16/h3-8,10,12,21H,9,11,13H2,1-2H3/b15-8+
InChIKey SPVUAPFJLMJJQS-OVCLIPMQSA-N
Molecular Weight 323.392 g/mol
SMILES N(\C(=C\CC(CC1=CC(=O)C(=CC1=O)C)=O)C)Cc1ccccc1
SPLASH splash10-0006-9200000000-8fb2ef4328cd71a4b701
Source of Spectrum D8-327-153-11
Synonyms 2-[(4E)-5-(benzylamino)-2-oxo-4-hexenyl]-5-methylbenzo-1,4-quinone
Wiley ID 1515150