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2-(3-Methylphenyl)-2-[(2-methylphenyl)thio]-4-pentenoic acid methyl ester
SpectraBase Compound ID IbMwRRV28Bp
InChI InChI=1S/C20H22O2S/c1-5-13-20(19(21)22-4,17-11-8-9-15(2)14-17)23-18-12-7-6-10-16(18)3/h5-12,14H,1,13H2,2-4H3
InChIKey JKVQFZNKOAUJQU-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C20H22O2S
Exact Mass 326.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Av8mQ22RQbG
Name 2-(3-Methylphenyl)-2-[(2-methylphenyl)thio]-4-pentenoic acid methyl ester
Alternate Name(s) 2-(m-tolyl)-2-(o-tolylthio)pent-4-enoic acid methyl ester Methyl 2-(3-methylphenyl)-2-(2-methylphenyl)sulfanyl-pent-4-enoate Methyl 2-(m-tolyl)-2-(o-tolylsulfanyl)pent-4-enoate
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Formula C20H22O2S
InChI InChI=1S/C20H22O2S/c1-5-13-20(19(21)22-4,17-11-8-9-15(2)14-17)23-18-12-7-6-10-16(18)3/h5-12,14H,1,13H2,2-4H3
InChIKey JKVQFZNKOAUJQU-UHFFFAOYSA-N
Molecular Weight 326.454 g/mol
SMILES C(C(CC=C)(Sc1c(cccc1)C)c1cc(ccc1)C)(=O)OC
SPLASH splash10-0fdo-6941000000-d8705f6245d8ff7ede37
Source of Spectrum J-67-5624-3
Wiley ID 1570605