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1-Methyl-4-[(3-phenyl-2-propyn-1-yl)thio]benzene
SpectraBase Compound ID 2SayH37pZoo
InChI InChI=1S/C16H14S/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,13H2,1H3
InChIKey IJQQVWZPXYXYIF-UHFFFAOYSA-N
Mol Weight 238.35 g/mol
Molecular Formula C16H14S
Exact Mass 238.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtA0HP5Z2fq
Name 1-Methyl-4-[(3-phenyl-2-propyn-1-yl)thio]benzene
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14S
InChI InChI=1S/C16H14S/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,13H2,1H3
InChIKey IJQQVWZPXYXYIF-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7024
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 238.348 g/mol
SMILES C(C#Cc1ccccc1)Sc1ccc(cc1)C
SPLASH splash10-014i-1910000000-e4a8b67c3380da8f7169
Source of Spectrum JOC-86-7085-5
Thin-Layer Chromatography Rf = 0.17 (hexane)
Wiley ID 1867722