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2'-iodo-3,3"-bis(mercaptomethyl)-1,1':3',1"-terphenyl
SpectraBase Compound ID 6M9sF06ZU6o
InChI InChI=1S/C20H17IS2/c21-20-18(16-6-1-4-14(10-16)12-22)8-3-9-19(20)17-7-2-5-15(11-17)13-23/h1-11,22-23H,12-13H2
InChIKey NXGCQSKOYUQYNX-UHFFFAOYSA-N
Mol Weight 448.38 g/mol
Molecular Formula C20H17IS2
Exact Mass 447.981638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14Oast31pA
Name 2'-iodo-3,3"-bis(mercaptomethyl)-1,1':3',1"-terphenyl
Alternate Name(s) (3-{2-iodo-3-[3-(sulfanylmethyl)phenyl]phenyl}phenyl)methanethiol 2'-iodo-3,3''-bis(mercaptomethyl)-1,1':3',1''-terphenyl
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Formula C20H17IS2
InChI InChI=1S/C20H17IS2/c21-20-18(16-6-1-4-14(10-16)12-22)8-3-9-19(20)17-7-2-5-15(11-17)13-23/h1-11,22-23H,12-13H2
InChIKey NXGCQSKOYUQYNX-UHFFFAOYSA-N
Molecular Weight 448.380 g/mol
SMILES SCc1cc(-c2c(c(-c3cc(CS)ccc3)ccc2)I)ccc1
SPLASH splash10-015a-0004900000-a4ef39409ad9b4a020ac
Source of Spectrum F-51-1328-6
Wiley ID 790708