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Bis(4-methylbenzyl)sulfide
SpectraBase Compound ID 3lh5ACXb6D1
InChI InChI=1S/C16H18S/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey KGBYNVUSDGMXEO-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C16H18S
Exact Mass 242.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOp191dL2B
Name bis(4-methylbenzyl)sulfide
Appearance Colourless solid
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Exact Mass 242.112921754 u
Formula C16H18S
InChI InChI=1S/C16H18S/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey KGBYNVUSDGMXEO-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.202201383
Molecular Weight 242.380 g/mol
Quality 116
SMILES CC1=CC=C(C=C1)CSCC1=CC=C(C)C=C1
SPLASH splash10-0a4i-1920000000-86d14116840ee96a84d7
Source of Spectrum K1-26-SM14-2a (DOI: 10.1002/ejoc.202201383)
Thin-Layer Chromatography 0.83 (SiO2, PE/EE, 20:1)
Wiley ID 1910518