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(2S)-2-[bis(2-bromo-4,5-dimethoxy-benzyl)amino]propionic acid methyl ester
SpectraBase Compound ID BtOZYD83lG6
InChI InChI=1S/C22H27Br2NO6/c1-13(22(26)31-6)25(11-14-7-18(27-2)20(29-4)9-16(14)23)12-15-8-19(28-3)21(30-5)10-17(15)24/h7-10,13H,11-12H2,1-6H3/t13-/m0/s1
InChIKey KMUROIIJKLCKBE-ZDUSSCGKSA-N
Mol Weight 561.27 g/mol
Molecular Formula C22H27Br2NO6
Exact Mass 559.020514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcilM5dq9hs
Name (2S)-2-[bis(2-bromo-4,5-dimethoxy-benzyl)amino]propionic acid methyl ester
Alternate Name(s) (2S)-2-[bis[(2-bromo-4,5-dimethoxyphenyl)methyl]amino]propanoic acid methyl ester Methyl (2S)-2-[bis[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]amino]propanoate Methyl (2S)-2-[bis[(2-bromo-4,5-dimethoxy-phenyl)methyl]amino]propanoate
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Formula C22H27Br2NO6
InChI InChI=1S/C22H27Br2NO6/c1-13(22(26)31-6)25(11-14-7-18(27-2)20(29-4)9-16(14)23)12-15-8-19(28-3)21(30-5)10-17(15)24/h7-10,13H,11-12H2,1-6H3/t13-/m0/s1
InChIKey KMUROIIJKLCKBE-ZDUSSCGKSA-N
Molecular Weight 561.267 g/mol
SMILES C([C@](C)(N(Cc1c(cc(c(c1)OC)OC)Br)Cc1c(cc(c(c1)OC)OC)Br)[H])(=O)OC
SPLASH splash10-0059-4290000000-26bf63e343eeb84f5819
Source of Spectrum K1-2004-3491-5
Wiley ID 1561375