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1-(2-(Methylthio)phenyl)hept-2-yn-1-ol
SpectraBase Compound ID QqZ1j3OZzW
InChI InChI=1S/C14H18OS/c1-3-4-5-6-10-13(15)12-9-7-8-11-14(12)16-2/h7-9,11,13,15H,3-5H2,1-2H3
InChIKey WYYGYKFPDOTVRQ-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaC0Pszv033
Name 1-(2-(Methylthio)phenyl)hept-2-yn-1-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-3-4-5-6-10-13(15)12-9-7-8-11-14(12)16-2/h7-9,11,13,15H,3-5H2,1-2H3
InChIKey WYYGYKFPDOTVRQ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202100782
Molecular Weight 234.357 g/mol
Reported Formula C14H18OS
SMILES OC(c1c(SC)cccc1)C#CCCCC
SPLASH splash10-02t9-0950000000-71442823b9d244b88432
Source of Spectrum ASC-363-SM4-1m
Wiley ID 1851318