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2-Allylamino-4-oxo-4-p-tolyl-butyric acid
SpectraBase Compound ID JKwsxZ0ASN6
InChI InChI=1S/C14H17NO3/c1-3-8-15-12(14(17)18)9-13(16)11-6-4-10(2)5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H,17,18)
InChIKey GAFHZMCUZTVWOQ-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JBElWrzPPH
Name 2-Allylamino-4-oxo-4-p-tolyl-butyric acid
Alternate Name(s) 2-(Allylamino)-4-(4-methylphenyl)-4-oxobutanoic acid 2-(allylamino)-4-keto-4-(p-tolyl)butyric acid 2-(allylamino)-4-oxo-4-(p-tolyl)butanoic acid 4-(4-Methylphenyl)-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid 4-(4-Methylphenyl)-4-oxo-2-(prop-2-enylamino)butanoic acid
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Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-3-8-15-12(14(17)18)9-13(16)11-6-4-10(2)5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H,17,18)
InChIKey GAFHZMCUZTVWOQ-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES OC(C(CC(c1ccc(cc1)C)=O)NCC=C)=O
SPLASH splash10-014i-9700000000-18f7a864705c4c7b46c3
Wiley ID 1450266