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1,2-Hexanediol, 5-(1,3-dithian-2-yl)-3-methyl-, [2S-(2R*,3S*,5R*)]-
SpectraBase Compound ID 9srywaAU2pO
InChI InChI=1S/C11H22O2S2/c1-8(10(13)7-12)6-9(2)11-14-4-3-5-15-11/h8-13H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey OTSLZTNBBIQKMV-IVZWLZJFSA-N
Mol Weight 250.41 g/mol
Molecular Formula C11H22O2S2
Exact Mass 250.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdJ0kl3DCMQ
Name 1,2-Hexanediol, 5-(1,3-dithian-2-yl)-3-methyl-, [2S-(2R*,3S*,5R*)]-
CAS Registry Number 68880-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S2
InChI InChI=1S/C11H22O2S2/c1-8(10(13)7-12)6-9(2)11-14-4-3-5-15-11/h8-13H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey OTSLZTNBBIQKMV-IVZWLZJFSA-N
Molecular Weight 250.415 g/mol
SMILES O[C@](CO)([C@](C[C@](C1SCCCS1)(C)[H])(C)[H])[H]
SPLASH splash10-014i-2910000000-44db16594dd8833f184f
Source of Spectrum I-60-332-0
Synonyms (2'S,4'S,5'S)-2-(2',4'-dimethyl-5',6'-dihydroxyhex-2'-yl)-1,3-dithiane (2S,3S,5R)-5-(1,3-dithian-2-yl)-3-methyl-1,2-hexanediol 1,3-Dithiane, 1,2-hexanediol deriv.
Wiley ID 1252798