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(4-iodo-[1,1'-biphenyl]-3-yl)(trifluoromethyl)sulfane
SpectraBase Compound ID 52DO3Nrdb78
InChI InChI=1S/C13H8F3IS/c14-13(15,16)18-12-8-10(6-7-11(12)17)9-4-2-1-3-5-9/h1-8H
InChIKey GHSXJXJGMXTCJG-UHFFFAOYSA-N
Mol Weight 380.17 g/mol
Molecular Formula C13H8F3IS
Exact Mass 379.934351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XdN4gpp0U5
Name (4-iodo-[1,1'-biphenyl]-3-yl)(trifluoromethyl)sulfane
Appearance Yellow liquid
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Exact Mass 379.934350921 u
Formula C13H8F3IS
InChI InChI=1S/C13H8F3IS/c14-13(15,16)18-12-8-10(6-7-11(12)17)9-4-2-1-3-5-9/h1-8H
InChIKey GHSXJXJGMXTCJG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 380.167 g/mol
Reported Formula C13H8F3SI
SMILES C1=C(C(=CC(=C1)C=1C=CC=CC1)SC(F)(F)F)I
SPLASH splash10-001i-0009000000-0500f7b43ea369c4f130
Sample Comments Minor isomer
Source of Spectrum QE-28-SM12-4k (DOI: 10.1002/chem.202104395)
Wiley ID 1898322