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2-Amino-2'-bromo-5-methyl-1,1'-biphenyl-4-ol 4-methylbenzenesulfonate ester
SpectraBase Compound ID F1zOlCekKNE
InChI InChI=1S/C20H18BrNO3S/c1-13-7-9-15(10-8-13)26(23,24)25-20-12-19(22)17(11-14(20)2)16-5-3-4-6-18(16)21/h3-12H,22H2,1-2H3
InChIKey MXTVHQCABHOVTN-UHFFFAOYSA-N
Mol Weight 432.33 g/mol
Molecular Formula C20H18BrNO3S
Exact Mass 431.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zp1cQdWCxA
Name 2-Amino-2'-bromo-5-methyl-1,1'-biphenyl-4-ol 4-methylbenzenesulfonate ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrNO3S
InChI InChI=1S/C20H18BrNO3S/c1-13-7-9-15(10-8-13)26(23,24)25-20-12-19(22)17(11-14(20)2)16-5-3-4-6-18(16)21/h3-12H,22H2,1-2H3
InChIKey MXTVHQCABHOVTN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800602v
Molecular Weight 432.332 g/mol
SMILES Nc1cc(OS(=O)(c2ccc(cc2)C)=O)c(C)cc1-c1ccccc1Br
SPLASH splash10-01ox-9040600000-befb5128d83f6a1433ba
Source of Spectrum A1-10-1999/SMS3-10
Synonyms 2-Amino-2'-bromo-5-methyl-[1,1'-biphenyl]-4-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [5-amino-4-(2-bromophenyl)-2-methylphenyl] ester [5-amino-4-(2-bromophenyl)-2-methylphenyl] 4-methylbenzenesulfonate [5-amino-4-(2-bromophenyl)-2-methyl-phenyl] 4-methylbenzenesulfonate [5-azanyl-4-(2-bromophenyl)-2-methyl-phenyl] 4-methylbenzenesulfonate
Wiley ID 1759434