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Dimethyl (E)-2-{[(4-nitrobenzoyl)(tert-butyl)amino]carbonyl}-2-butenedioate
SpectraBase Compound ID An67GhX4sRz
InChI InChI=1S/C18H20N2O8/c1-18(2,3)19(15(22)11-6-8-12(9-7-11)20(25)26)16(23)13(17(24)28-5)10-14(21)27-4/h6-10H,1-5H3/b13-10+
InChIKey XJJFHAUTVKUCGM-JLHYYAGUSA-N
Mol Weight 392.36 g/mol
Molecular Formula C18H20N2O8
Exact Mass 392.121966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iiYxy6f235
Name Dimethyl (E)-2-{[(4-nitrobenzoyl)(tert-butyl)amino]carbonyl}-2-butenedioate
Alternate Name(s) Dimethyl (2E)-2-{[tert-butyl(4-nitrobenzoyl)amino]carbonyl}-2-butenedioate (E)-2-[[tert-butyl-[(4-nitrophenyl)-oxomethyl]amino]-oxomethyl]-2-butenedioic acid dimethyl ester Dimethyl (E)-2-[tert-butyl-(4-nitrobenzoyl)carbamoyl]but-2-enedioate Dimethyl (E)-2-[tert-butyl-(4-nitrophenyl)carbonyl-carbamoyl]but-2-enedioate
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Formula C18H20N2O8
InChI InChI=1S/C18H20N2O8/c1-18(2,3)19(15(22)11-6-8-12(9-7-11)20(25)26)16(23)13(17(24)28-5)10-14(21)27-4/h6-10H,1-5H3/b13-10+
InChIKey XJJFHAUTVKUCGM-JLHYYAGUSA-N
Molecular Weight 392.364 g/mol
SMILES C(\C(=C\C(=O)OC)C(=O)N(C(C)(C)C)C(c1ccc(cc1)N(=O)=O)=O)(=O)OC
SPLASH splash10-0kni-5900000000-12637c710b04f24aea45
Source of Spectrum F-62-5644-3
Wiley ID 1633522