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Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(([(4-methylphenyl)sulfonyl]oxy)amino)propanoate
SpectraBase Compound ID AziIHQfzbqu
InChI InChI=1S/C17H17Br2NO6S/c1-10-3-5-12(6-4-10)27(23,24)26-20-15(17(22)25-2)9-11-7-13(18)16(21)14(19)8-11/h3-8,15,20-21H,9H2,1-2H3
InChIKey SQFLFAIUOZRDQN-UHFFFAOYSA-N
Mol Weight 523.19 g/mol
Molecular Formula C17H17Br2NO6S
Exact Mass 520.914334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yPtIWr8dM
Name Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(([(4-methylphenyl)sulfonyl]oxy)amino)propanoate
Alternate Name(s) N-p-toluenesulofonyloxy-3,5-dibromotyrosine, methyl ester 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonyloxyamino]propanoic acid methyl ester Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonyloxyamino]propanoate Methyl 3-(3,5-dibromo-4-hydroxy-phenyl)-2-(p-tolylsulfonyloxyamino)propanoate Methyl 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(4-methylphenyl)sulfonyloxyamino]propanoate
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Formula C17H17Br2NO6S
InChI InChI=1S/C17H17Br2NO6S/c1-10-3-5-12(6-4-10)27(23,24)26-20-15(17(22)25-2)9-11-7-13(18)16(21)14(19)8-11/h3-8,15,20-21H,9H2,1-2H3
InChIKey SQFLFAIUOZRDQN-UHFFFAOYSA-N
Molecular Weight 523.192 g/mol
SMILES Oc1c(cc(CC(NOS(=O)(=O)c2ccc(cc2)C)C(OC)=O)cc1Br)Br
SPLASH splash10-06r6-9620300000-57db44c3e9c5e53ac4b8
Source of Spectrum NP-15-8376-0
Wiley ID 1112911