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1,3-Dithiane, 2-[1-(4-methylphenyl)ethyl]-, (.+-.)-
SpectraBase Compound ID HrUsN8LYry4
InChI InChI=1S/C13H18S2/c1-10-4-6-12(7-5-10)11(2)13-14-8-3-9-15-13/h4-7,11,13H,3,8-9H2,1-2H3
InChIKey PEGQFJZYWWXWJR-UHFFFAOYSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fgHuA2279I
Name 1,3-Dithiane, 2-[1-(4-methylphenyl)ethyl]-, (.+-.)-
Alternate Name(s) 2-[1-(4-methylphenyl)ethyl]-1,3-dithiane 2-[1-(4-tolyl)-ethyl]-1,3-dithian
CAS Registry Number 75316-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-10-4-6-12(7-5-10)11(2)13-14-8-3-9-15-13/h4-7,11,13H,3,8-9H2,1-2H3
InChIKey PEGQFJZYWWXWJR-UHFFFAOYSA-N
Molecular Weight 238.407 g/mol
SMILES C1(SCCCS1)C(c1ccc(cc1)C)C
SPLASH splash10-014i-0900000000-8238217a87ee029abf62
Source of Spectrum F-36-653-0
Wiley ID 1240567