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5-Iodo-6-((trifluoromethyl)thio)benzo[d][1,3]dioxole
SpectraBase Compound ID C5rQjA7VmRU
InChI InChI=1S/C8H4F3IO2S/c9-8(10,11)15-7-2-6-5(1-4(7)12)13-3-14-6/h1-2H,3H2
InChIKey VQEOGXVWCQRNEU-UHFFFAOYSA-N
Mol Weight 348.08 g/mol
Molecular Formula C8H4F3IO2S
Exact Mass 347.89288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELoNjAvQ8rE
Name 5-Iodo-6-((trifluoromethyl)thio)benzo[d][1,3]dioxole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.892880030 u
Formula C8H4F3IO2S
InChI InChI=1S/C8H4F3IO2S/c9-8(10,11)15-7-2-6-5(1-4(7)12)13-3-14-6/h1-2H,3H2
InChIKey VQEOGXVWCQRNEU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 348.078 g/mol
Reported Formula C8H4O2F3SI
SMILES C1(=C(C=C2C(=C1)OCO2)SC(F)(F)F)I
SPLASH splash10-0002-0009000000-2e523403a13613a1ae05
Source of Spectrum QE-28-SM10-4h (DOI: 10.1002/chem.202104395)
Wiley ID 1898320