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Butanoic acid, 4-[[2-(aminocarbonyl)phenyl]amino]-4-oxo-, methyl ester
SpectraBase Compound ID 9955JoTfXQ4
InChI InChI=1S/C12H14N2O4/c1-18-11(16)7-6-10(15)14-9-5-3-2-4-8(9)12(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKey NOJBZGFOPSKQRS-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LM5SgGN08p
Name Butanoic acid, 4-[[2-(aminocarbonyl)phenyl]amino]-4-oxo-, methyl ester
Alternate Name(s) 4-(2-carbamoylanilino)-4-keto-butyric acid methyl ester 4-(2-carbamoylanilino)-4-oxobutanoic acid methyl ester Methyl 4-(2-carbamoylanilino)-4-oxo-butanoate Methyl 4-[(2-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoate
CAS Registry Number 105234-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-18-11(16)7-6-10(15)14-9-5-3-2-4-8(9)12(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKey NOJBZGFOPSKQRS-UHFFFAOYSA-N
Molecular Weight 250.254 g/mol
SMILES N(c1c(C(=O)N)cccc1)C(=O)CCC(=O)OC
SPLASH splash10-00kr-0920000000-e7657e6fa0da2388870f
Source of Spectrum H-69-1023-11
Wiley ID 1252973