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3-(2-Ethynylanilino)-3-keto-propionic acid ethyl ester
SpectraBase Compound ID 6BKfQv1BoxX
InChI InChI=1S/C13H13NO3/c1-3-10-7-5-6-8-11(10)14-12(15)9-13(16)17-4-2/h1,5-8H,4,9H2,2H3,(H,14,15)
InChIKey WPIRBEJFQKYXCW-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARhUYsxMNZT
Name 3-(2-Ethynylanilino)-3-keto-propionic acid ethyl ester
Alternate Name(s) 3-(2-Ethynylanilino)-3-oxopropanoic acid ethyl ester Ethyl 3-(2-ethynylanilino)-3-oxo-propanoate Ethyl 3-[(2-ethynylphenyl)amino]-3-oxidanylidene-propanoate
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Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-3-10-7-5-6-8-11(10)14-12(15)9-13(16)17-4-2/h1,5-8H,4,9H2,2H3,(H,14,15)
InChIKey WPIRBEJFQKYXCW-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES N(C(CC(=O)OCC)=O)c1c(C#C)cccc1
SPLASH splash10-014i-0920000000-69529ed3050113790d0a
Source of Spectrum D1-1998-447-1
Wiley ID 835112