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2-Iodo-1-(4-methylbenzenesulfonatemethyl)benzene
SpectraBase Compound ID LQsec09Zrr6
InChI InChI=1S/C14H13IO3S/c1-11-6-8-13(9-7-11)19(16,17)18-10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3
InChIKey XIYFTFAAHGNUBM-UHFFFAOYSA-N
Mol Weight 388.22 g/mol
Molecular Formula C14H13IO3S
Exact Mass 387.96301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sNgF3QPo
Name 2-Iodo-1-(4-methylbenzenesulfonatemethyl)benzene
Alternate Name(s) 2-Iodobenzyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13IO3S
InChI InChI=1S/C14H13IO3S/c1-11-6-8-13(9-7-11)19(16,17)18-10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3
InChIKey XIYFTFAAHGNUBM-UHFFFAOYSA-N
Molecular Weight 388.219 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)c1c(I)cccc1
SPLASH splash10-02ti-1490000000-acd1ef4423fe62ec22db
Source of Spectrum F-70-5690-1b
Wiley ID 1743012