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Ethyl .alpha.-{[2'-(chloroacetyl)oxy]-3'-methyl-1'-oxobutyl}amino-.alpha.-cyano-(4"-methylphenyl)propanoate
SpectraBase Compound ID IVzduUVDoti
InChI InChI=1S/C20H25ClN2O5/c1-5-27-19(26)20(12-22,10-15-8-6-14(4)7-9-15)23-18(25)17(13(2)3)28-16(24)11-21/h6-9,13,17H,5,10-11H2,1-4H3,(H,23,25)
InChIKey VMEQVILFRXBJFB-UHFFFAOYSA-N
Mol Weight 408.88 g/mol
Molecular Formula C20H25ClN2O5
Exact Mass 408.1452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cu03AQ1oYg
Name Ethyl .alpha.-{[2'-(chloroacetyl)oxy]-3'-methyl-1'-oxobutyl}amino-.alpha.-cyano-(4"-methylphenyl)propanoate
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Formula C20H25ClN2O5
InChI InChI=1S/C20H25ClN2O5/c1-5-27-19(26)20(12-22,10-15-8-6-14(4)7-9-15)23-18(25)17(13(2)3)28-16(24)11-21/h6-9,13,17H,5,10-11H2,1-4H3,(H,23,25)
InChIKey VMEQVILFRXBJFB-UHFFFAOYSA-N
Molecular Weight 408.882 g/mol
SMILES N(C(C(OC(=O)CCl)C(C)C)=O)C(C(=O)OCC)(C#N)Cc1ccc(cc1)C
SPLASH splash10-0a4i-1930000000-087cf4cf8019b10042aa
Source of Spectrum H-85-2228-5
Synonyms Ethyl 2-({2-[(chloroacetyl)oxy]-3-methylbutanoyl}amino)-2-cyano-3-(4-methylphenyl)propanoate
Wiley ID 1524459