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1-METHOXY-4-(PHENYLTHIO)-BENZENE
SpectraBase Compound ID GPeYIphCzxv
InChI InChI=1S/C13H12OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey QLPJEUPWCYCFKB-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSdW1BBfjNZ
Name Phenyl(4-methoxyphenyl)sulphide
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.060886179 u
Formula C13H12OS
GC Oven Program Oven temp 250oC
InChI InChI=1S/C13H12OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey QLPJEUPWCYCFKB-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Agilent Technologies 7820A GC-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201806036
Molecular Weight 216.298 g/mol
Quality 348
Reported Formula C13H12OS
SMILES C1(=CC=CC=C1)SC1=CC=C(C=C1)OC
SPLASH splash10-014i-0190000000-6e0123b6130e65db6914
Source of Spectrum ACI-57-SM12-17 (DOI: 10.1002/anie.201806036)
Thin-Layer Chromatography 0.35 (Pentane, 100%)
Wiley ID 1893381