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2-Bromophenyl p-toluenesulfonate
SpectraBase Compound ID 5ekW6C8EzwV
InChI InChI=1S/C13H11BrO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKey ZXJVRRGBOXUFSQ-UHFFFAOYSA-N
Mol Weight 327.19 g/mol
Molecular Formula C13H11BrO3S
Exact Mass 325.961228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPH95u7voyv
Name (2-bromophenyl) 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid (2-bromophenyl) ester
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Formula C13H11BrO3S
InChI InChI=1S/C13H11BrO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKey ZXJVRRGBOXUFSQ-UHFFFAOYSA-N
Molecular Weight 327.192 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(Br)cccc1
SPLASH splash10-052f-9703000000-bd7369046d71dd36f889
Source of Spectrum C-88-51-0
Wiley ID 1590058