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(3-iodo-1-methyl-butyl) 4-methylbenzenesulfonate
SpectraBase Compound ID 1PCZwnyZZPO
InChI InChI=1S/C12H17IO3S/c1-9-4-6-12(7-5-9)17(14,15)16-11(3)8-10(2)13/h4-7,10-11H,8H2,1-3H3
InChIKey KLXCBPYXRRAEPI-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 EQilZz1rbyw
Name (3-iodo-1-methyl-butyl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17IO3S
InChI InChI=1S/C12H17IO3S/c1-9-4-6-12(7-5-9)17(14,15)16-11(3)8-10(2)13/h4-7,10-11H,8H2,1-3H3
InChIKey KLXCBPYXRRAEPI-UHFFFAOYSA-N
Molecular Weight 368.229 g/mol
SMILES c1(ccc(cc1)C)S(=O)(=O)OC(CC(C)I)C
SPLASH splash10-014l-9100000000-8595a743b5e3a10a0461
Source of Spectrum U1-2002-2747-5
Synonyms 4-iodanylpentan-2-yl 4-methylbenzenesulfonate 4-iodopentan-2-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-iodo-1-methyl-butyl) ester 4-Methylbenzenesulfonic acid 4-iodopentan-2-yl ester
Wiley ID 1523010