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(3-iodo-1-methyl-butyl) naphthalene-2-sulfonate
SpectraBase Compound ID C3oIw7ypSXC
InChI InChI=1S/C15H17IO3S/c1-11(16)9-12(2)19-20(17,18)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10-12H,9H2,1-2H3
InChIKey CLJBDPYRJXAYHU-UHFFFAOYSA-N
Mol Weight 404.26 g/mol
Molecular Formula C15H17IO3S
Exact Mass 403.994311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQObpx9W8Hu
Name (3-iodo-1-methyl-butyl) naphthalene-2-sulfonate
Alternate Name(s) 2-naphthalenesulfonic acid 4-iodopentan-2-yl ester 4-iodanylpentan-2-yl naphthalene-2-sulfonate 4-iodopentan-2-yl naphthalene-2-sulfonate naphthalene-2-sulfonic acid (3-iodo-1-methyl-butyl) ester
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Formula C15H17IO3S
InChI InChI=1S/C15H17IO3S/c1-11(16)9-12(2)19-20(17,18)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10-12H,9H2,1-2H3
InChIKey CLJBDPYRJXAYHU-UHFFFAOYSA-N
Molecular Weight 404.262 g/mol
SMILES c1c(ccc2ccccc12)S(=O)(=O)OC(CC(C)I)C
SPLASH splash10-066u-9470000000-e4e58d575d03f68aa006
Source of Spectrum U1-2002-2748-5
Wiley ID 1523008