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(9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-(hydroxymethyl)-1,5-dithiaspiro[5.5]undecan-9-ol
SpectraBase Compound ID 14nxVQV1avC
InChI InChI=1S/C18H30O2S2/c1-14(2)6-4-7-15(3)16-12-18(21-10-5-11-22-18)9-8-17(16,20)13-19/h6-7,16,19-20H,4-5,8-13H2,1-3H3/t16-,17+/m1/s1
InChIKey RYTDGSGFPPOCKM-SJORKVTESA-N
Mol Weight 342.56 g/mol
Molecular Formula C18H30O2S2
Exact Mass 342.168723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpjIgjtNqd2
Name (9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-(hydroxymethyl)-1,5-dithiaspiro[5.5]undecan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2S2
InChI InChI=1S/C18H30O2S2/c1-14(2)6-4-7-15(3)16-12-18(21-10-5-11-22-18)9-8-17(16,20)13-19/h6-7,16,19-20H,4-5,8-13H2,1-3H3/t16-,17+/m1/s1
InChIKey RYTDGSGFPPOCKM-SJORKVTESA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 342.556 g/mol
Optical Rotation [a]D23 = +5.7 (c = 1.0, CH2Cl2)
Reported Formula C18H28O2S2
SMILES O[C@@]1(CO)[C@](CC2(CC1)SCCCS2)(C(=CCC=C(C)C)C)[H]
SPLASH splash10-006t-0964000000-74dd25ea896508958096
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.58 (silica gel, hexanes/EtOAc, 1:1)
Wiley ID 1846848