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2-(3,5-dinitro-2-pyridinyl)propanedioic acid ditert-butyl ester
SpectraBase Compound ID FvirlHEuxbp
InChI InChI=1S/C16H21N3O8/c1-15(2,3)26-13(20)11(14(21)27-16(4,5)6)12-10(19(24)25)7-9(8-17-12)18(22)23/h7-8,11H,1-6H3
InChIKey ZTNGTBDPAZPJRX-UHFFFAOYSA-N
Mol Weight 383.36 g/mol
Molecular Formula C16H21N3O8
Exact Mass 383.132865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrghdmRmgjh
Name 2-(3,5-dinitro-2-pyridinyl)propanedioic acid ditert-butyl ester
Alternate Name(s) 2-(3,5-dinitro-2-pyridyl)malonic acid ditert-butyl ester ditert-butyl 2-(3,5-dinitro-2-pyridyl)propanedioate ditert-butyl 2-(3,5-dinitropyridin-2-yl)propanedioate Malonic acid di-tert-butyl ester, 2-(3,5-dinitropyridin-2-yl)-
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Formula C16H21N3O8
InChI InChI=1S/C16H21N3O8/c1-15(2,3)26-13(20)11(14(21)27-16(4,5)6)12-10(19(24)25)7-9(8-17-12)18(22)23/h7-8,11H,1-6H3
InChIKey ZTNGTBDPAZPJRX-UHFFFAOYSA-N
Molecular Weight 383.357 g/mol
SMILES c1(c(C(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)ncc(N(=O)=O)c1)N(=O)=O
SPLASH splash10-0a4i-9000000000-df1406a1a967fd77d02c
Wiley ID 1441056