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2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate
SpectraBase Compound ID 1jLeJQpU7Md
InChI InChI=1S/C21H24BrNO5S/c22-18-13-11-17(12-14-18)20(24)16-28-21(25)10-6-1-2-7-15-23-29(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,1-2,6-7,10,15-16H2
InChIKey KRMMHTXKPOEKSI-UHFFFAOYSA-N
Mol Weight 482.39 g/mol
Molecular Formula C21H24BrNO5S
Exact Mass 481.055857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjvAiTmvhpE
Name 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate
Alternate Name(s) 7-(benzenesulfonamido)heptanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester [2-(4-bromophenyl)-2-oxoethyl] 7-(benzenesulfonamido)heptanoate [2-(4-bromophenyl)-2-oxo-ethyl] 7-(benzenesulfonamido)heptanoate [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-(phenylsulfonylamino)heptanoate
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Formula C21H24BrNO5S
InChI InChI=1S/C21H24BrNO5S/c22-18-13-11-17(12-14-18)20(24)16-28-21(25)10-6-1-2-7-15-23-29(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,1-2,6-7,10,15-16H2
InChIKey KRMMHTXKPOEKSI-UHFFFAOYSA-N
Molecular Weight 482.389 g/mol
SMILES N(S(=O)(=O)c1ccccc1)CCCCCCC(OCC(c1ccc(cc1)Br)=O)=O
SPLASH splash10-004i-9700000000-93b0a739553291fe8475
Wiley ID 1452124