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4,4"-Bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylic acid
SpectraBase Compound ID FnOWHSYrfit
InChI InChI=1S/C21H18O2S2/c22-21(23)20-18(16-8-4-14(12-24)5-9-16)2-1-3-19(20)17-10-6-15(13-25)7-11-17/h1-11,24-25H,12-13H2,(H,22,23)
InChIKey OHYPIANVAWTHAE-UHFFFAOYSA-N
Mol Weight 366.49 g/mol
Molecular Formula C21H18O2S2
Exact Mass 366.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzOJjI5u36m
Name 4,4"-Bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylic acid
Alternate Name(s) 2,6-bis[4-(sulfanylmethyl)phenyl]benzoic acid 4,4''-Bis(mercaptomethyl)-1,1':3',1''-terphenyl-2'-carboxylic acid
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Formula C21H18O2S2
InChI InChI=1S/C21H18O2S2/c22-21(23)20-18(16-8-4-14(12-24)5-9-16)2-1-3-19(20)17-10-6-15(13-25)7-11-17/h1-11,24-25H,12-13H2,(H,22,23)
InChIKey OHYPIANVAWTHAE-UHFFFAOYSA-N
Molecular Weight 366.493 g/mol
SMILES SCc1ccc(-c2c(C(=O)O)c(ccc2)-c2ccc(cc2)CS)cc1
SPLASH splash10-0uyi-0119000000-7e67e96c681112ff073a
Source of Spectrum F-51-1328-6
Wiley ID 790707