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Benzoic acid, 4-[2-(4-tolylthio)ethoxy]-
SpectraBase Compound ID KQWTM23C6Yj
InChI InChI=1S/C16H16O3S/c1-12-2-8-15(9-3-12)20-11-10-19-14-6-4-13(5-7-14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey PUHKAJQBIRZANZ-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HRHfMUdPbW
Name Benzoic acid, 4-[2-(4-tolylthio)ethoxy]-
Alternate Name(s) 4-[2-(4-methylphenyl)sulfanylethoxy]benzoic acid 4-[2-(p-tolylsulfanyl)ethoxy]benzoic acid 4-[2-(p-tolylthio)ethoxy]benzoic acid 4-[2-[(4-methylphenyl)thio]ethoxy]benzoic acid
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Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-12-2-8-15(9-3-12)20-11-10-19-14-6-4-13(5-7-14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey PUHKAJQBIRZANZ-UHFFFAOYSA-N
Molecular Weight 288.361 g/mol
SMILES OC(c1ccc(OCCSc2ccc(C)cc2)cc1)=O
SPLASH splash10-0fk9-8900000000-e76d2a7604757637d1fb
Source of Spectrum AD-0-2532-0
Wiley ID 1419783