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4-Iodo-2-(2-(methylthio)ethyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID FcV9u4XdLu
InChI InChI=1S/C10H10F3IO3S2/c1-18-5-4-7-6-8(14)2-3-9(7)17-19(15,16)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKey ZVLLIEIBGCOICZ-UHFFFAOYSA-N
Mol Weight 426.21 g/mol
Molecular Formula C10H10F3IO3S2
Exact Mass 425.906816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cpn2q0Zvjqj
Name 4-Iodo-2-(2-(methylthio)ethyl)phenyl trifluoromethanesulfonate
Appearance Colorless solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10F3IO3S2
GC Oven Program Oven temp 300oC
InChI InChI=1S/C10H10F3IO3S2/c1-18-5-4-7-6-8(14)2-3-9(7)17-19(15,16)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKey ZVLLIEIBGCOICZ-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101278
Molecular Weight 426.207 g/mol
SMILES C(CC1=C(C=CC(=C1)I)OS(C(F)(F)F)(=O)=O)SC
SPLASH splash10-004i-0090000000-5abc27341243b9252999
Source of Spectrum K1-2022-SM17-12 (DOI: 10.1002/ejoc.202101278)
Thin-Layer Chromatography 0.23 (cyclohexane/EtOAc, 200:1)
Wiley ID 1898538