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2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID AZucvd9ApdO
InChI InChI=1S/C16H15IO5S/c1-11-2-4-13(5-3-11)23(18,19)22-7-6-12-8-15-16(9-14(12)17)21-10-20-15/h2-5,8-9H,6-7,10H2,1H3
InChIKey GIJFNZTUYQNECH-UHFFFAOYSA-N
Mol Weight 446.26 g/mol
Molecular Formula C16H15IO5S
Exact Mass 445.96849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWU81koy6tk
Name 2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate
Alternate Name(s) 2-(6-iodanyl-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 2-(6-iodo-1,3-benzodioxol-5-yl)ethyl ester
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Formula C16H15IO5S
InChI InChI=1S/C16H15IO5S/c1-11-2-4-13(5-3-11)23(18,19)22-7-6-12-8-15-16(9-14(12)17)21-10-20-15/h2-5,8-9H,6-7,10H2,1H3
InChIKey GIJFNZTUYQNECH-UHFFFAOYSA-N
Molecular Weight 446.255 g/mol
SMILES c1(ccc(cc1)C)S(=O)(=O)OCCc1cc2OCOc2cc1I
SPLASH splash10-00di-0090100000-ca232e2bd3983f2cd655
Source of Spectrum F-68-2458-4
Wiley ID 1572121