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{1-[(4-Methoxyphenyl)ethynyl]cyclohexyl} (p-Tolyl) Sulfide
SpectraBase Compound ID Ir6n7LjwF1F
InChI InChI=1S/C22H24OS/c1-18-6-12-21(13-7-18)24-22(15-4-3-5-16-22)17-14-19-8-10-20(23-2)11-9-19/h6-13H,3-5,15-16H2,1-2H3
InChIKey JIVKTNOCLNQWMS-UHFFFAOYSA-N
Mol Weight 336.49 g/mol
Molecular Formula C22H24OS
Exact Mass 336.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoJTxNFz1jQ
Name {1-[(4-Methoxyphenyl)ethynyl]cyclohexyl} (p-Tolyl) Sulfide
Appearance Pale yellow liquid
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Formula C22H24OS
InChI InChI=1S/C22H24OS/c1-18-6-12-21(13-7-18)24-22(15-4-3-5-16-22)17-14-19-8-10-20(23-2)11-9-19/h6-13H,3-5,15-16H2,1-2H3
InChIKey JIVKTNOCLNQWMS-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7014
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 336.493 g/mol
Reported Formula C22H24OS
SMILES C1(C#Cc2ccc(cc2)OC)(Sc2ccc(cc2)C)CCCCC1
SPLASH splash10-01p6-9088000000-6463d654438f5aef63c0
Source of Spectrum JOC-86-7084-4ha
Thin-Layer Chromatography Rf = 0.39 (hexane/ EtOAc, 10:1)
Wiley ID 1867715