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Benzoic acid, 4-(2-bromoethyl)-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester
SpectraBase Compound ID H6yWtPzc0Z7
InChI InChI=1S/C17H18BrNO4S/c1-24(21,22)19-12-14-4-8-16(9-5-14)23-17(20)15-6-2-13(3-7-15)10-11-18/h2-9,19H,10-12H2,1H3
InChIKey WRUGGXOWVPFOAL-UHFFFAOYSA-N
Mol Weight 412.3 g/mol
Molecular Formula C17H18BrNO4S
Exact Mass 411.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xpAoTJ3FYi
Name Benzoic acid, 4-(2-bromoethyl)-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester
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Formula C17H18BrNO4S
InChI InChI=1S/C17H18BrNO4S/c1-24(21,22)19-12-14-4-8-16(9-5-14)23-17(20)15-6-2-13(3-7-15)10-11-18/h2-9,19H,10-12H2,1H3
InChIKey WRUGGXOWVPFOAL-UHFFFAOYSA-N
Molecular Weight 412.298 g/mol
SMILES N(S(C)(=O)=O)Cc1ccc(OC(=O)c2ccc(CCBr)cc2)cc1
SPLASH splash10-03di-0190000000-5e702fb87b1830575e61
Source of Spectrum JX-2015-4-175
Synonyms 4-(methylsulfonamidomethyl)phenyl 4-(2-bromoethyl)benzoate 4-{[(methylsulfonyl)amino]methyl}phenyl 4-(2-bromoethyl)benzoate [4-(methanesulfonamidomethyl)phenyl] 4-(2-bromoethyl)benzoate [4-(methylsulfonylaminomethyl)phenyl] 4-(2-bromoethyl)benzoate
Wiley ID 1725624