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(2R,3R)-Methyl 4-(4-bromophenyl)-2-(4-methoxyphenylamino)-3- nitrobutanoate
SpectraBase Compound ID 3tcYWqYsq31
InChI InChI=1S/C18H19BrN2O5/c1-25-15-9-7-14(8-10-15)20-17(18(22)26-2)16(21(23)24)11-12-3-5-13(19)6-4-12/h3-10,16-17,20H,11H2,1-2H3/t16-,17-/m1/s1
InChIKey VDTCTBIFOKVTGZ-IAGOWNOFSA-N
Mol Weight 423.26 g/mol
Molecular Formula C18H19BrN2O5
Exact Mass 422.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ICrj2izU9G
Name (2R,3R)-Methyl 4-(4-bromophenyl)-2-(4-methoxyphenylamino)-3- nitrobutanoate
Alternate Name(s) (2R,3R)-methyl 4-(4-bromophenyl)-2-((4-methoxyphenyl)amino)-3-nitrobutanoate (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitrobutanoic acid methyl ester Methyl (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitrobutanoate Methyl (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitro-butanoate Methyl (2R,3R)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)amino]-3-nitro-butanoate
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Formula C18H19BrN2O5
InChI InChI=1S/C18H19BrN2O5/c1-25-15-9-7-14(8-10-15)20-17(18(22)26-2)16(21(23)24)11-12-3-5-13(19)6-4-12/h3-10,16-17,20H,11H2,1-2H3/t16-,17-/m1/s1
InChIKey VDTCTBIFOKVTGZ-IAGOWNOFSA-N
Literature Reference DOI 10.1021/ol8003589
Molecular Weight 423.263 g/mol
SMILES N([C@@](C(OC)=O)([C@]([N+](=O)[O-])(Cc1ccc(cc1)Br)[H])[H])c1ccc(cc1)OC
SPLASH splash10-001i-3900000000-c57a802e47815d360d23
Source of Spectrum A1-10-1731/SMS8-4f
Wiley ID 1759346