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t-Butyl .alpha.-{[2'-(dichloroacetyl)oxy]-3'-methyl-1'-oxobutyl}amino-.alpha.-cyano-(4"-methylphenyl)propanoate
SpectraBase Compound ID 95OeQeg730F
InChI InChI=1S/C22H28Cl2N2O5/c1-13(2)16(30-19(28)17(23)24)18(27)26-22(12-25,20(29)31-21(4,5)6)11-15-9-7-14(3)8-10-15/h7-10,13,16-17H,11H2,1-6H3,(H,26,27)
InChIKey AUHYUJSCYDGRNB-UHFFFAOYSA-N
Mol Weight 471.38 g/mol
Molecular Formula C22H28Cl2N2O5
Exact Mass 470.137527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LExZXkCO6WL
Name t-Butyl .alpha.-{[2'-(dichloroacetyl)oxy]-3'-methyl-1'-oxobutyl}amino-.alpha.-cyano-(4"-methylphenyl)propanoate
Alternate Name(s) t-Butyl .alpha.-{[2'-(dichloroacetyl)oxy]-3'-methyl-1'-(oxobutyl)amino}-.alpha.-cyano-4-methylbanzene-1-propanoate tert-Butyl 2-cyano-2-({2-[(dichloroacetyl)oxy]-3-methylbutanoyl}amino)-3-(4-methylphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28Cl2N2O5
InChI InChI=1S/C22H28Cl2N2O5/c1-13(2)16(30-19(28)17(23)24)18(27)26-22(12-25,20(29)31-21(4,5)6)11-15-9-7-14(3)8-10-15/h7-10,13,16-17H,11H2,1-6H3,(H,26,27)
InChIKey AUHYUJSCYDGRNB-UHFFFAOYSA-N
Molecular Weight 471.381 g/mol
SMILES N(C(C(OC(C(Cl)Cl)=O)C(C)C)=O)C(C(OC(C)(C)C)=O)(C#N)Cc1ccc(cc1)C
SPLASH splash10-0a4i-2900000000-47e73038c558d42200cd
Source of Spectrum H-85-2229-5
Wiley ID 1524458