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Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-nitro-.alpha.-oxo-, dimethyl ester
SpectraBase Compound ID 1neSh5In4XS
InChI InChI=1S/C20H14N4O12/c1-35-19(29)15(25)11-7-9(23(31)32)3-5-13(11)21-17(27)18(28)22-14-6-4-10(24(33)34)8-12(14)16(26)20(30)36-2/h3-8H,1-2H3,(H,21,27)(H,22,28)
InChIKey CUTWZFWTTFFIAR-UHFFFAOYSA-N
Mol Weight 502.35 g/mol
Molecular Formula C20H14N4O12
Exact Mass 502.060822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoRvSlLBmHG
Name Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-nitro-.alpha.-oxo-, dimethyl ester
Alternate Name(s) Dimethyl 2,2'-(oxalyldiimino)bis(5-nitrophenylglyoxylate) Methyl (2-{[{2-[methoxy(oxo)acetyl]-4-nitroanilino}(oxo)acetyl]amino}-5-nitrophenyl)(oxo)acetate
CAS Registry Number 109082-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N4O12
InChI InChI=1S/C20H14N4O12/c1-35-19(29)15(25)11-7-9(23(31)32)3-5-13(11)21-17(27)18(28)22-14-6-4-10(24(33)34)8-12(14)16(26)20(30)36-2/h3-8H,1-2H3,(H,21,27)(H,22,28)
InChIKey CUTWZFWTTFFIAR-UHFFFAOYSA-N
Molecular Weight 502.348 g/mol
SMILES N(C(C(Nc1c(C(C(=O)OC)=O)cc(N(=O)=O)cc1)=O)=O)c1c(C(C(=O)OC)=O)cc(N(=O)=O)cc1
SPLASH splash10-0006-4910000000-d0f8025c589e2ed73a40
Source of Spectrum B-40-148-3
Wiley ID 1399123