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2-(4-bromo-N-(2,2,2-trichloro-1-oxoethyl)anilino)-3-(tert-butyliminomethylidene)butanedioic acid dimethyl ester
SpectraBase Compound ID E3AoCRJ7cdM
InChI InChI=1S/C19H20BrCl3N2O5/c1-18(2,3)24-10-13(15(26)29-4)14(16(27)30-5)25(17(28)19(21,22)23)12-8-6-11(20)7-9-12/h6-9,14H,1-5H3
InChIKey WMEBHKZQCMWQJS-UHFFFAOYSA-N
Mol Weight 542.64 g/mol
Molecular Formula C19H20BrCl3N2O5
Exact Mass 539.962118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtsMlCM2ywf
Name 2-(4-bromo-N-(2,2,2-trichloro-1-oxoethyl)anilino)-3-(tert-butyliminomethylidene)butanedioic acid dimethyl ester
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Formula C19H20BrCl3N2O5
InChI InChI=1S/C19H20BrCl3N2O5/c1-18(2,3)24-10-13(15(26)29-4)14(16(27)30-5)25(17(28)19(21,22)23)12-8-6-11(20)7-9-12/h6-9,14H,1-5H3
InChIKey WMEBHKZQCMWQJS-UHFFFAOYSA-N
Molecular Weight 542.641 g/mol
SMILES C(C(N(C(C(Cl)(Cl)Cl)=O)c1ccc(cc1)Br)C(=O)OC)(=C=NC(C)(C)C)C(=O)OC
SPLASH splash10-0ufr-9540000000-1a624ee1b7a79c123ba8
Source of Spectrum G-69-1503-4
Synonyms 2-(4-bromo-N-(2,2,2-trichloroacetyl)anilino)-3-(tert-butyliminomethylene)succinic acid dimethyl ester Dimethyl 2-(4-bromo-N-(2,2,2-trichloroacetyl)anilino)-3-(tert-butyliminomethylene)butanedioate Dimethyl 2-(4-bromo-N-(2,2,2-trichloroacetyl)anilino)-3-(tert-butyliminomethylidene)butanedioate Dimethyl 2-[(4-bromophenyl)-[2,2,2-tris(chloranyl)ethanoyl]amino]-3-(tert-butyliminomethylidene)butanedioate
Wiley ID 1559670