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Benzoic acid, 4-(2-bromoethyl)-, 4-[(phenylsulfonyl)amino]phenyl ester
SpectraBase Compound ID KP05Sfe8iLZ
InChI InChI=1S/C21H18BrNO4S/c22-15-14-16-6-8-17(9-7-16)21(24)27-19-12-10-18(11-13-19)23-28(25,26)20-4-2-1-3-5-20/h1-13,23H,14-15H2
InChIKey ZBPSTJNSIYRVKH-UHFFFAOYSA-N
Mol Weight 460.34 g/mol
Molecular Formula C21H18BrNO4S
Exact Mass 459.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LaJY4jdWfl
Name Benzoic acid, 4-(2-bromoethyl)-, 4-[(phenylsulfonyl)amino]phenyl ester
Alternate Name(s) 4-(Phenylsulfonamido)phenyl 4-(2-bromoethyl)benzoate 4-[(phenylsulfonyl)amino]phenyl 4-(2-bromoethyl)benzoate [4-(benzenesulfonamido)phenyl] 4-(2-bromoethyl)benzoate [4-(phenylsulfonylamino)phenyl] 4-(2-bromoethyl)benzoate
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Formula C21H18BrNO4S
InChI InChI=1S/C21H18BrNO4S/c22-15-14-16-6-8-17(9-7-16)21(24)27-19-12-10-18(11-13-19)23-28(25,26)20-4-2-1-3-5-20/h1-13,23H,14-15H2
InChIKey ZBPSTJNSIYRVKH-UHFFFAOYSA-N
Molecular Weight 460.342 g/mol
SMILES N(c1ccc(OC(c2ccc(CCBr)cc2)=O)cc1)S(=O)(=O)c1ccccc1
SPLASH splash10-03di-4490000000-ba6abd1950a537c1e99d
Source of Spectrum JX-2015-4-701
Wiley ID 1726121