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2-(4-Methoxybenzylthio)benzoic acid
SpectraBase Compound ID K9pi2hpzvwY
InChI InChI=1S/C15H14O3S/c1-18-12-8-6-11(7-9-12)10-19-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey XNWQNANDQXNBIQ-UHFFFAOYSA-N
Mol Weight 274.33 g/mol
Molecular Formula C15H14O3S
Exact Mass 274.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLTKSLHlMlU
Name 2-(4-Methoxybenzylthio)benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C15H14O3S
InChI InChI=1S/C15H14O3S/c1-18-12-8-6-11(7-9-12)10-19-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey XNWQNANDQXNBIQ-UHFFFAOYSA-N
Molecular Weight 274.334 g/mol
SMILES OC(c1c(SCc2ccc(cc2)OC)cccc1)=O
SPLASH splash10-00di-0920000000-a2d462e7569a777a8e31
Source of Spectrum F-67-5276-7b
Synonyms 2-[(4-methoxyphenyl)methylthio]benzoic acid 2-[(4-methoxyphenyl)methylsulfanyl]benzoic acid
Wiley ID 1686933