1,2-Hexanediol, 5-(2-ethyl-1,3-dithian-2-yl)-3-methyl-, [2S-(2R*,3S*,5R*)]-

SpectraBase Compound ID	DOsihNSbqoP
InChI	InChI=1S/C13H26O2S2/c1-4-13(16-6-5-7-17-13)11(3)8-10(2)12(15)9-14/h10-12,14-15H,4-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey	NRPNDRWCYWAVQN-GRYCIOLGSA-N Google Search
Mol Weight	278.47 g/mol
Molecular Formula	C13H26O2S2
Exact Mass	278.137422 g/mol

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SpectraBase Spectrum ID	IH3rpk1RbB
Name	1,2-Hexanediol, 5-(2-ethyl-1,3-dithian-2-yl)-3-methyl-, [2S-(2R,3S,5R*)]-
Alternate Name(s)	(2'S,4'R,5'S)-2-ethyl-2-(2',4'-dimethyl-5',6'-dihydroxyhex-2-yl)-1,3-dithiane (2S,3R,5S)-5-(2-ethyl-1,3-dithian-2-yl)-3-methyl-1,2-hexanediol 1,3-Dithiane, 1,2-hexanediol deriv.
CAS Registry Number	68880-99-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H26O2S2
InChI	InChI=1S/C13H26O2S2/c1-4-13(16-6-5-7-17-13)11(3)8-10(2)12(15)9-14/h10-12,14-15H,4-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey	NRPNDRWCYWAVQN-GRYCIOLGSA-N
Molecular Weight	278.469 g/mol
SMILES	O[C@](CO)([C@@](C[C@@](C1(SCCCS1)CC)(C)[H])(C)[H])[H]
SPLASH	splash10-0002-5910000000-79dcb2cd462f73c656f6
Source of Spectrum	I-60-333-0
Wiley ID	1281680