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4-(4-Phenoxy-phenylsulfanylmethyl)-benzoic acid
SpectraBase Compound ID 2xBJ0CjYTiy
InChI InChI=1S/C20H16O3S/c21-20(22)16-8-6-15(7-9-16)14-24-19-12-10-18(11-13-19)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
InChIKey RRVYNLBLJCQYTD-UHFFFAOYSA-N
Mol Weight 336.41 g/mol
Molecular Formula C20H16O3S
Exact Mass 336.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXQGJgdfmWn
Name 4-(4-Phenoxy-phenylsulfanylmethyl)-benzoic acid
Alternate Name(s) 4-[[(4-phenoxyphenyl)thio]methyl]benzoic acid
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Formula C20H16O3S
InChI InChI=1S/C20H16O3S/c21-20(22)16-8-6-15(7-9-16)14-24-19-12-10-18(11-13-19)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
InChIKey RRVYNLBLJCQYTD-UHFFFAOYSA-N
Molecular Weight 336.405 g/mol
SMILES OC(c1ccc(CSc2ccc(Oc3ccccc3)cc2)cc1)=O
SPLASH splash10-0f9i-9820000000-27e223e54d44152629df
Wiley ID 1441740