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1-Pentalenemethanol, 3-(1,3-dithiolan-2-yl)octahydro-4-hydroxy-, (1.alpha.,3.alpha.,3a.beta.,4.alpha.,6a.beta.)-(.+-.)-
SpectraBase Compound ID D54r6Spxia2
InChI InChI=1S/C12H20O2S2/c13-6-7-5-9(12-15-3-4-16-12)11-8(7)1-2-10(11)14/h7-14H,1-6H2/t7-,8+,9-,10+,11+/m0/s1
InChIKey KGGGOCRXBQTIIJ-OGBGREFGSA-N
Mol Weight 260.41 g/mol
Molecular Formula C12H20O2S2
Exact Mass 260.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASjzxShEIid
Name 1-Pentalenemethanol, 3-(1,3-dithiolan-2-yl)octahydro-4-hydroxy-, (1.alpha.,3.alpha.,3a.beta.,4.alpha.,6a.beta.)-(.+-.)-
CAS Registry Number 127268-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2S2
InChI InChI=1S/C12H20O2S2/c13-6-7-5-9(12-15-3-4-16-12)11-8(7)1-2-10(11)14/h7-14H,1-6H2/t7-,8+,9-,10+,11+/m0/s1
InChIKey KGGGOCRXBQTIIJ-OGBGREFGSA-N
Molecular Weight 260.410 g/mol
SMILES O[C@@]1(CC[C@]2([C@@]1([C@](C[C@]2(CO)[H])(C1SCCS1)[H])[H])[H])[H]
SPLASH splash10-0bt9-0930000000-f68a53bf5b81cd0c696e
Source of Spectrum F-45-5662-22
Synonyms (1R,3aR,4R,6S,6aR)-6-(1,3-dithiolan-2-yl)-4-(hydroxymethyl)octahydro-1-pentalenol 2.alpha.-hydroxy-6.alpha.-hydroxymethyl-8-(1',3'-dithian-2'yl)bicyclo[3.3.0]octane
Wiley ID 1263349