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1-Pentanethione, 2,2,4-trimethyl-1-phenyl-
SpectraBase Compound ID JsEeDjVbTE4
InChI InChI=1S/C14H20S/c1-11(2)10-14(3,4)13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKey FAKNAESOSQUTLF-UHFFFAOYSA-N
Mol Weight 220.37 g/mol
Molecular Formula C14H20S
Exact Mass 220.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8W1qLWmXWSJ
Name 1-Pentanethione, 2,2,4-trimethyl-1-phenyl-
Alternate Name(s) 2,2,4-trimethyl-1-phenyl-1-pentanethione 2,2,4-trimethyl-1-phenylpentane-1-thione
CAS Registry Number 54007-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20S
InChI InChI=1S/C14H20S/c1-11(2)10-14(3,4)13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKey FAKNAESOSQUTLF-UHFFFAOYSA-N
Molecular Weight 220.374 g/mol
SMILES C(C(=S)c1ccccc1)(CC(C)C)(C)C
SPLASH splash10-0229-0900000000-c0316c9f962b295272fa
Source of Spectrum C-98-6223-0
Wiley ID 1220327