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1-(Phenylethynyl)cyclopentyl) (p-tolyl) sulfide
SpectraBase Compound ID IDT3FiRkzT9
InChI InChI=1S/C20H20S/c1-17-9-11-19(12-10-17)21-20(14-5-6-15-20)16-13-18-7-3-2-4-8-18/h2-4,7-12H,5-6,14-15H2,1H3
InChIKey HFPCBSDNXPPOPW-UHFFFAOYSA-N
Mol Weight 292.44 g/mol
Molecular Formula C20H20S
Exact Mass 292.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DV7wC9pz2NU
Name 1-(Phenylethynyl)cyclopentyl) (p-tolyl) sulfide
Appearance White solid
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Formula C20H20S
InChI InChI=1S/C20H20S/c1-17-9-11-19(12-10-17)21-20(14-5-6-15-20)16-13-18-7-3-2-4-8-18/h2-4,7-12H,5-6,14-15H2,1H3
InChIKey HFPCBSDNXPPOPW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 292.440 g/mol
Reported Formula C20H21S
SMILES c1(ccc(cc1)C)SC1(C#Cc2ccccc2)CCCC1
SPLASH splash10-0006-8940000000-6f6d3f78f9366a082f23
Source of Spectrum ASC-364-SM6-1o
Thin-Layer Chromatography Rf = 0.36 (Hex/CH2Cl2, 10:1)
Wiley ID 1872930