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5-Methyl-2-[4'-(N-methylamino)-2'-oxo-3'-pentenyl]-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 3f8pqVdOOEH
InChI InChI=1S/C13H15NO3/c1-8-4-13(17)10(7-12(8)16)6-11(15)5-9(2)14-3/h4-5,7,14H,6H2,1-3H3/b9-5+
InChIKey HRXKMVYGDGIPMN-WEVVVXLNSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hjsclj65TBn
Name 5-Methyl-2-[4'-(N-methylamino)-2'-oxo-3'-pentenyl]-2,5-cyclohexadiene-1,4-dione
Alternate Name(s) 2-Methyl-5-[(3E)-4-(methylamino)-2-oxo-3-pentenyl]benzo-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-8-4-13(17)10(7-12(8)16)6-11(15)5-9(2)14-3/h4-5,7,14H,6H2,1-3H3/b9-5+
InChIKey HRXKMVYGDGIPMN-WEVVVXLNSA-N
Molecular Weight 233.267 g/mol
SMILES N(\C(=C\C(CC1=CC(=O)C(=CC1=O)C)=O)C)C
SPLASH splash10-0002-9000000000-4bd1a6268f717d26afa8
Source of Spectrum D8-327-152-10
Wiley ID 1515154