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Benzoic acid, 4-(2-bromoethyl)-, 4-[(butylamino)sulfonyl]phenyl ester
SpectraBase Compound ID 2FbOXNm33bG
InChI InChI=1S/C19H22BrNO4S/c1-2-3-14-21-26(23,24)18-10-8-17(9-11-18)25-19(22)16-6-4-15(5-7-16)12-13-20/h4-11,21H,2-3,12-14H2,1H3
InChIKey CTBCTDQDQKTXSA-UHFFFAOYSA-N
Mol Weight 440.35 g/mol
Molecular Formula C19H22BrNO4S
Exact Mass 439.045292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Wgn1nWYwy
Name Benzoic acid, 4-(2-bromoethyl)-, 4-[(butylamino)sulfonyl]phenyl ester
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Formula C19H22BrNO4S
InChI InChI=1S/C19H22BrNO4S/c1-2-3-14-21-26(23,24)18-10-8-17(9-11-18)25-19(22)16-6-4-15(5-7-16)12-13-20/h4-11,21H,2-3,12-14H2,1H3
InChIKey CTBCTDQDQKTXSA-UHFFFAOYSA-N
Molecular Weight 440.352 g/mol
SMILES N(CCCC)S(=O)(=O)c1ccc(OC(=O)c2ccc(CCBr)cc2)cc1
SPLASH splash10-03di-2390000000-67949df238c16e0459c5
Source of Spectrum JX-2015-4-482
Synonyms 4-(N-butylsulfamoyl)phenyl 4-(2-bromoethyl)benzoate 4-(butylsulfamoyl)phenyl 4-(2-bromoethyl)benzoate [4-(butylsulfamoyl)phenyl] 4-(2-bromoethyl)benzoate
Wiley ID 1725915