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3-(4-(1,1-dimetyhlethan-1-yl)phenoxy)propane-1-thiol
SpectraBase Compound ID Afm6kQx8cKA
InChI InChI=1S/C13H20OS/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h5-8,15H,4,9-10H2,1-3H3
InChIKey VUIZUXWMJCYZHJ-UHFFFAOYSA-N
Mol Weight 224.36 g/mol
Molecular Formula C13H20OS
Exact Mass 224.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HLPHNYEUko
Name 3-(4-(1,1-dimetyhlethan-1-yl)phenoxy)propane-1-thiol
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h5-8,15H,4,9-10H2,1-3H3
InChIKey VUIZUXWMJCYZHJ-UHFFFAOYSA-N
Instrument Name Finnigan Trace DSQ or Finnigan Trace GC Ultra
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.61
Molecular Weight 224.362 g/mol
SMILES SCCCOc1ccc(cc1)C(C)(C)C
SPLASH splash10-059i-8190000000-9d432efa29d356303ab5
Source of Spectrum BJO-10-SM9-6a
Wiley ID 1854144