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Isopropyl 2-[N-(isopropoxy)(dimethoxycarbonyl)methylamino]-4,6-dinitrobenzoate
SpectraBase Compound ID 9cypkBeXLf7
InChI InChI=1S/C18H23N3O11/c1-9(2)31-15(22)14-12(7-11(20(25)26)8-13(14)21(27)28)19-18(16(23)29-5,17(24)30-6)32-10(3)4/h7-10,19H,1-6H3
InChIKey BATUSGGNOVEXAD-UHFFFAOYSA-N
Mol Weight 457.39 g/mol
Molecular Formula C18H23N3O11
Exact Mass 457.133259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YF5lJusFCw
Name Isopropyl 2-[N-(isopropoxy)(dimethoxycarbonyl)methylamino]-4,6-dinitrobenzoate
Alternate Name(s) Dimethyl 2-isopropoxy-2-[2-(isopropoxycarbonyl)-3,5-dinitroanilino]malonate
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Formula C18H23N3O11
InChI InChI=1S/C18H23N3O11/c1-9(2)31-15(22)14-12(7-11(20(25)26)8-13(14)21(27)28)19-18(16(23)29-5,17(24)30-6)32-10(3)4/h7-10,19H,1-6H3
InChIKey BATUSGGNOVEXAD-UHFFFAOYSA-N
Molecular Weight 457.392 g/mol
SMILES N(C(C(=O)OC)(C(=O)OC)OC(C)C)c1c(c(N(=O)=O)cc(N(=O)=O)c1)C(OC(C)C)=O
SPLASH splash10-01ot-0079000000-73a03537fd0edb314852
Source of Spectrum SO-0-114-2
Wiley ID 1539730