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(1's,2's)-2-(2'-ethyl-4'-hydroxy-1'-methylbutyl)1,3-dithiane
SpectraBase Compound ID F3waroc9lw4
InChI InChI=1S/C11H22OS2/c1-3-10(5-6-12)9(2)11-13-7-4-8-14-11/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey JCGTULVKMMGHDN-UWVGGRQHSA-N
Mol Weight 234.42 g/mol
Molecular Formula C11H22OS2
Exact Mass 234.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYidjB55x5D
Name (1's,2's)-2-(2'-ethyl-4'-hydroxy-1'-methylbutyl)1,3-dithiane
Alternate Name(s) (3S,4S)-4-(1,3-dithian-2-yl)-3-ethyl-1-pentanol 2-(1S-methyl-2S-ethyl-4-hydroxybutyl)-1,3-dithiane
CAS Registry Number 105705-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22OS2
InChI InChI=1S/C11H22OS2/c1-3-10(5-6-12)9(2)11-13-7-4-8-14-11/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey JCGTULVKMMGHDN-UWVGGRQHSA-N
Molecular Weight 234.416 g/mol
SMILES OCC[C@@]([C@@](C1SCCCS1)(C)[H])(CC)[H]
SPLASH splash10-014i-0900000000-35945539576da0ba76bb
Source of Spectrum F-42-2240-0
Wiley ID 1235660