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4-Iodo-1-methylpentyl benzenesulfonate
SpectraBase Compound ID 249RryXptbU
InChI InChI=1S/C12H17IO3S/c1-10(13)8-9-11(2)16-17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKey ZUCNAAMAFLUYFD-UHFFFAOYSA-N
Mol Weight 368.23 g/mol
Molecular Formula C12H17IO3S
Exact Mass 367.994311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H38DTf1OJk0
Name 4-Iodo-1-methylpentyl benzenesulfonate
Alternate Name(s) benzenesulfonic acid 5-iodohexan-2-yl ester 5-iodohexan-2-yl benzenesulfonate (4-iodo-1-methyl-pentyl) benzenesulfonate 5-iodanylhexan-2-yl benzenesulfonate
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Formula C12H17IO3S
InChI InChI=1S/C12H17IO3S/c1-10(13)8-9-11(2)16-17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKey ZUCNAAMAFLUYFD-UHFFFAOYSA-N
Molecular Weight 368.229 g/mol
SMILES c1(ccccc1)S(=O)(=O)OC(CCC(C)I)C
SPLASH splash10-01qc-9660000000-eabdc1cf4422c1b1a22e
Source of Spectrum U1-2002-2752-28
Wiley ID 1522984