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(2-Ethylsulfanyl-4-nitro-benzoylamino)-acetic acid ethyl ester
SpectraBase Compound ID ACcB334MDqb
InChI InChI=1S/C13H16N2O5S/c1-3-20-12(16)8-14-13(17)10-6-5-9(15(18)19)7-11(10)21-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey KZJQSYDAOCRLDH-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQQOclCl6WL
Name (2-Ethylsulfanyl-4-nitro-benzoylamino)-acetic acid ethyl ester
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Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-3-20-12(16)8-14-13(17)10-6-5-9(15(18)19)7-11(10)21-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey KZJQSYDAOCRLDH-UHFFFAOYSA-N
Molecular Weight 312.340 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1SCC)=O)CC(=O)OCC
SPLASH splash10-114r-3920000000-feb1d5c47037b69af910
Synonyms 2-[[2-(ethylthio)-4-nitro-benzoyl]amino]acetic acid ethyl ester 2-[[[2-(ethylthio)-4-nitrophenyl]-oxomethyl]amino]acetic acid ethyl ester Ethyl ([2-(ethylsulfanyl)-4-nitrobenzoyl]amino)acetate Ethyl 2-[(2-ethylsulfanyl-4-nitro-benzoyl)amino]acetate Ethyl 2-[(2-ethylsulfanyl-4-nitro-phenyl)carbonylamino]ethanoate
Wiley ID 1464855