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1-Pentanethione, 2,2-dimethyl-1-phenyl-
SpectraBase Compound ID DYU0pS5mxk8
InChI InChI=1S/C13H18S/c1-4-10-13(2,3)12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKey FVKJHIDWNVAADI-UHFFFAOYSA-N
Mol Weight 206.35 g/mol
Molecular Formula C13H18S
Exact Mass 206.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GFjfulTcdw
Name 1-Pentanethione, 2,2-dimethyl-1-phenyl-
Alternate Name(s) 2,2-Dimethyl-1-phenyl-1-pentanethione 2,2-Dimethyl-1-phenylpentane-1-thione
CAS Registry Number 52433-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S
InChI InChI=1S/C13H18S/c1-4-10-13(2,3)12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKey FVKJHIDWNVAADI-UHFFFAOYSA-N
Molecular Weight 206.347 g/mol
SMILES C(C(CCC)(C)C)(=S)c1ccccc1
SPLASH splash10-00di-0910000000-dcc43fa58db75f290c88
Source of Spectrum C-98-6223-0
Wiley ID 1204877