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3,5-dimethyl-4-(phenylthio)phenol
SpectraBase Compound ID JbntnRNYGey
InChI InChI=1S/C14H14OS/c1-10-8-12(15)9-11(2)14(10)16-13-6-4-3-5-7-13/h3-9,15H,1-2H3
InChIKey MTUKALJLWGIKOS-UHFFFAOYSA-N
Mol Weight 230.32 g/mol
Molecular Formula C14H14OS
Exact Mass 230.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3W8nxa2Orq5
Name 3,5-dimethyl-4-(phenylthio)phenol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14OS
InChI InChI=1S/C14H14OS/c1-10-8-12(15)9-11(2)14(10)16-13-6-4-3-5-7-13/h3-9,15H,1-2H3
InChIKey MTUKALJLWGIKOS-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 230.325 g/mol
SMILES Oc1cc(c(c(c1)C)Sc1ccccc1)C
SPLASH splash10-001i-1290000000-0e06485bc2dd723f0742
Source of Spectrum U1-2020-SM6-6a
Thin-Layer Chromatography Rf = 0.33 (hexane/ethyl acetate, 4:1)
Wiley ID 1860660