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1-Tridecanethione, 2,2-dimethyl-1-phenyl-
SpectraBase Compound ID IinwJf2O1gk
InChI InChI=1S/C21H34S/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)20(22)19-16-13-12-14-17-19/h12-14,16-17H,4-11,15,18H2,1-3H3
InChIKey GRIIUGRBGNSSCF-UHFFFAOYSA-N
Mol Weight 318.6 g/mol
Molecular Formula C21H34S
Exact Mass 318.238122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pxxzZHpPX5
Name 1-Tridecanethione, 2,2-dimethyl-1-phenyl-
Alternate Name(s) 2,2-Dimethyl-1-phenyl-1-tridecanethione 2,2-Dimethyl-1-phenyltridecane-1-thione
CAS Registry Number 54007-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34S
InChI InChI=1S/C21H34S/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)20(22)19-16-13-12-14-17-19/h12-14,16-17H,4-11,15,18H2,1-3H3
InChIKey GRIIUGRBGNSSCF-UHFFFAOYSA-N
Molecular Weight 318.563 g/mol
SMILES C(C(CCCCCCCCCCC)(C)C)(=S)c1ccccc1
SPLASH splash10-0229-0900000000-625e1f17455118088784
Source of Spectrum C-98-6223-0
Wiley ID 1319028