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Benzyl (2-methyl-4-phenylbut-3-yn-2-yl) sulfide
SpectraBase Compound ID Jal9513tjGH
InChI InChI=1S/C18H18S/c1-18(2,14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h3-12H,15H2,1-2H3
InChIKey UDYUJOGLVHXBAH-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C18H18S
Exact Mass 266.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VPpGB1zeqZ
Name Benzyl (2-methyl-4-phenylbut-3-yn-2-yl) sulfide
Appearance Colorless oil
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Formula C18H18S
InChI InChI=1S/C18H18S/c1-18(2,14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h3-12H,15H2,1-2H3
InChIKey UDYUJOGLVHXBAH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 266.402 g/mol
Reported Formula C18H19S
SMILES C(c1ccccc1)SC(C#Cc1ccccc1)(C)C
SPLASH splash10-0006-2900000000-9c39a2b41070ce7c9318
Source of Spectrum ASC-364-SM5-1k
Thin-Layer Chromatography Rf = 0.13 (Hexane)
Wiley ID 1872928