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2-[2-(phenylthio)ethyl]-6-benzofurancarboxylic acid methyl ester
SpectraBase Compound ID BVzlV7f0dZa
InChI InChI=1S/C18H16O3S/c1-20-18(19)14-8-7-13-11-15(21-17(13)12-14)9-10-22-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKey QQVKZVQOXXGPRA-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C18H16O3S
Exact Mass 312.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fs7t5Bbe5V4
Name 2-[2-(phenylthio)ethyl]-6-benzofurancarboxylic acid methyl ester
Alternate Name(s) 2-[2-(phenylthio)ethyl]benzofuran-6-carboxylic acid methyl ester Methyl 2-(2-phenylsulfanylethyl)benzofuran-6-carboxylate
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Formula C18H16O3S
InChI InChI=1S/C18H16O3S/c1-20-18(19)14-8-7-13-11-15(21-17(13)12-14)9-10-22-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKey QQVKZVQOXXGPRA-UHFFFAOYSA-N
Molecular Weight 312.383 g/mol
SMILES c12oc(cc2ccc(C(=O)OC)c1)CCSc1ccccc1
SPLASH splash10-0229-0904000000-1ae117ede9e1c4ccbeee
Source of Spectrum KC-0-2084-20
Wiley ID 828660