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3-Methyl-1-(2-(methylthio)phenyl)pent-1-yn-3-ol
SpectraBase Compound ID 7VUw2ju19eo
InChI InChI=1S/C13H16OS/c1-4-13(2,14)10-9-11-7-5-6-8-12(11)15-3/h5-8,14H,4H2,1-3H3
InChIKey JCKOHJNPMCGIGB-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dN9XBZ0Tnm
Name 3-Methyl-1-(2-(methylthio)phenyl)pent-1-yn-3-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-4-13(2,14)10-9-11-7-5-6-8-12(11)15-3/h5-8,14H,4H2,1-3H3
InChIKey JCKOHJNPMCGIGB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200353
Molecular Weight 220.330 g/mol
SMILES OC(C#Cc1c(cccc1)SC)(C)CC
SPLASH splash10-007a-0910000000-ce1bdb7cf29947a44fed
Source of Spectrum AJO-11-SM2-1b
Wiley ID 1873036