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2 (R / S)-Benzyl-6-(t-butyl)-2 (S / R)-(methylsulfinyl)-1-cyclohexanol
SpectraBase Compound ID KHS9aEhTSGH
InChI InChI=1S/C18H28O2S/c1-17(2,3)15-11-8-12-18(16(15)19,21(4)20)13-14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,8,11-13H2,1-4H3/t15-,16+,18+,21?/m1/s1
InChIKey LXAANYHATJSGGW-JFXSJQBISA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42xs8ZLjgua
Name 2(S/R)-Benzyl-6-(t-butyl)-2(R/S)-(methylsulfinyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-17(2,3)15-11-8-12-18(16(15)19,21(4)20)13-14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,8,11-13H2,1-4H3/t15-,16+,18+,21?/m1/s1
InChIKey LXAANYHATJSGGW-JFXSJQBISA-N
Molecular Weight 308.480 g/mol
SMILES O[C@@]1([C@@](S(=O)C)(Cc2ccccc2)CCC[C@]1(C(C)(C)C)[H])[H]
SPLASH splash10-0a4x-9310000000-59a5ea167bfc4c96a287
Source of Spectrum Y4-88-599-10
Wiley ID 840529