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(2-Iodo-4,5-dimethylphenyl)(trifluoromethyl)sulfane
SpectraBase Compound ID Jbx9wP14HaV
InChI InChI=1S/C9H8F3IS/c1-5-3-7(13)8(4-6(5)2)14-9(10,11)12/h3-4H,1-2H3
InChIKey RNYVRMSLAUXADH-UHFFFAOYSA-N
Mol Weight 332.12 g/mol
Molecular Formula C9H8F3IS
Exact Mass 331.934351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNqtOfs2kzN
Name (2-Iodo-4,5-dimethylphenyl)(trifluoromethyl)sulfane
Appearance Yellow liquid
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Exact Mass 331.934350921 u
Formula C9H8F3IS
InChI InChI=1S/C9H8F3IS/c1-5-3-7(13)8(4-6(5)2)14-9(10,11)12/h3-4H,1-2H3
InChIKey RNYVRMSLAUXADH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 332.123 g/mol
Reported Formula C9H8F3SI
SMILES C1(=C(C=C(C(=C1)C)C)SC(F)(F)F)I
SPLASH splash10-001i-0009000000-87a7ac50c6bc7b64a842
Source of Spectrum QE-28-SM8-4c (DOI: 10.1002/chem.202104395)
Wiley ID 1898316