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2-isopropoxy-2-(2-isopropoxycarbonyl-5-nitro-anilino)malonic acid diethyl ester
SpectraBase Compound ID GEJXPPuo4Jb
InChI InChI=1S/C20H28N2O9/c1-7-28-18(24)20(31-13(5)6,19(25)29-8-2)21-16-11-14(22(26)27)9-10-15(16)17(23)30-12(3)4/h9-13,21H,7-8H2,1-6H3
InChIKey LORNTABLPDPYHQ-UHFFFAOYSA-N
Mol Weight 440.45 g/mol
Molecular Formula C20H28N2O9
Exact Mass 440.17948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mNLhP0Nyi
Name 2-isopropoxy-2-(2-isopropoxycarbonyl-5-nitro-anilino)malonic acid diethyl ester
Alternate Name(s) 2-[5-nitro-2-[oxo(propan-2-yloxy)methyl]anilino]-2-propan-2-yloxypropanedioic acid diethyl ester Diethyl 2-(5-nitro-2-propan-2-yloxycarbonylanilino)-2-propan-2-yloxypropanedioate Diethyl 2-isopropoxy-2-(2-isopropoxycarbonyl-5-nitro-anilino)propanedioate Diethyl 2-[(5-nitro-2-propan-2-yloxycarbonyl-phenyl)amino]-2-propan-2-yloxy-propanedioate
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Formula C20H28N2O9
InChI InChI=1S/C20H28N2O9/c1-7-28-18(24)20(31-13(5)6,19(25)29-8-2)21-16-11-14(22(26)27)9-10-15(16)17(23)30-12(3)4/h9-13,21H,7-8H2,1-6H3
InChIKey LORNTABLPDPYHQ-UHFFFAOYSA-N
Molecular Weight 440.449 g/mol
SMILES N(C(C(=O)OCC)(C(=O)OCC)OC(C)C)c1c(C(OC(C)C)=O)ccc(N(=O)=O)c1
SPLASH splash10-016u-0095000000-3679be6e2f96035035b4
Source of Spectrum SO-0-657-5
Wiley ID 1537979