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4-(allylamino)-4-keto-butyric acid methyl ester
SpectraBase Compound ID A6NBQ2mHoqt
InChI InChI=1S/C8H13NO3/c1-3-6-9-7(10)4-5-8(11)12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKey UZAGLMFHNPTIGL-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID b1wfFDyDqt
Name 4-(allylamino)-4-keto-butyric acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-3-6-9-7(10)4-5-8(11)12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKey UZAGLMFHNPTIGL-UHFFFAOYSA-N
Molecular Weight 171.196 g/mol
SMILES N(C(=O)CCC(=O)OC)CC=C
SPLASH splash10-0a4i-9000000000-66ded18bc3b2c2b4fba7
Source of Spectrum F-51-1500-3
Synonyms 4-oxo-4-(prop-2-enylamino)butanoic acid methyl ester methyl 4-(allylamino)-4-oxo-butanoate methyl 4-oxidanylidene-4-(prop-2-enylamino)butanoate methyl 4-oxo-4-(prop-2-enylamino)butanoate
Wiley ID 790946