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4-(3-iodo-1-methyl-butoxy)sulfonylbenzoic acid methyl ester
SpectraBase Compound ID FkcuwcWvLQJ
InChI InChI=1S/C13H17IO5S/c1-9(14)8-10(2)19-20(16,17)12-6-4-11(5-7-12)13(15)18-3/h4-7,9-10H,8H2,1-3H3
InChIKey LQCRFKISJQLLDW-UHFFFAOYSA-N
Mol Weight 412.24 g/mol
Molecular Formula C13H17IO5S
Exact Mass 411.98414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HreoZ7n94T0
Name 4-(3-iodo-1-methyl-butoxy)sulfonylbenzoic acid methyl ester
Alternate Name(s) 4-(4-iodopentan-2-yloxysulfonyl)benzoic acid methyl ester Methyl 4-(4-iodanylpentan-2-yloxysulfonyl)benzoate Methyl 4-(4-iodopentan-2-yloxysulfonyl)benzoate
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Formula C13H17IO5S
InChI InChI=1S/C13H17IO5S/c1-9(14)8-10(2)19-20(16,17)12-6-4-11(5-7-12)13(15)18-3/h4-7,9-10H,8H2,1-3H3
InChIKey LQCRFKISJQLLDW-UHFFFAOYSA-N
Molecular Weight 412.238 g/mol
SMILES c1(ccc(cc1)C(=O)OC)S(=O)(=O)OC(CC(C)I)C
SPLASH splash10-014s-7920000000-32dfab7eb8ef7359a569
Source of Spectrum U1-2002-2748-5
Wiley ID 1523007