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(3R,5R)-5-benzoxy-6-(1,3-dithian-2-yl)-4,4-dimethyl-hexane-1,3-diol
SpectraBase Compound ID 9bSYeZc3HXt
InChI InChI=1S/C19H30O3S2/c1-19(2,16(21)9-10-20)17(13-18-23-11-6-12-24-18)22-14-15-7-4-3-5-8-15/h3-5,7-8,16-18,20-21H,6,9-14H2,1-2H3/t16-,17-/m1/s1
InChIKey VMLWUYGMQIMHRN-IAGOWNOFSA-N
Mol Weight 370.57 g/mol
Molecular Formula C19H30O3S2
Exact Mass 370.163637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dst2tDvZIug
Name (3R,5R)-5-benzoxy-6-(1,3-dithian-2-yl)-4,4-dimethyl-hexane-1,3-diol
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Formula C19H30O3S2
InChI InChI=1S/C19H30O3S2/c1-19(2,16(21)9-10-20)17(13-18-23-11-6-12-24-18)22-14-15-7-4-3-5-8-15/h3-5,7-8,16-18,20-21H,6,9-14H2,1-2H3/t16-,17-/m1/s1
InChIKey VMLWUYGMQIMHRN-IAGOWNOFSA-N
Molecular Weight 370.566 g/mol
SMILES OCC[C@](C([C@@](CC1SCCCS1)(OCc1ccccc1)[H])(C)C)(O)[H]
SPLASH splash10-0006-8910000000-fd5ccce26d9459ebfa7f
Source of Spectrum K1-2002-1542-10
Synonyms (3R,5R)-5-benzyloxy-6-(1,3-dithian-2-yl)-4,4-dimethyl-hexane-1,3-diol (3R,5R)-6-(1,3-dithian-2-yl)-4,4-dimethyl-5-phenylmethoxy-hexane-1,3-diol
Wiley ID 1522430