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(1S*,2S*,3S*)-2-Methyl-3-phenylthiocyclohexanol acetate

View entire compound with spectra: 1 MS (GC)

(1S*,2S*,3S*)-2-Methyl-3-phenylthiocyclohexanol acetate
SpectraBase Compound ID CJsxq2LHHSI
InChI InChI=1S/C15H20O2S/c1-11-14(17-12(2)16)9-6-10-15(11)18-13-7-4-3-5-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3/t11-,14-,15-/m0/s1
InChIKey REFKVKALBOTGIA-CQDKDKBSSA-N
Mol Weight 264.38 g/mol
Molecular Formula C15H20O2S
Exact Mass 264.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6igbwEZPWcd
Name (1S*,2S*,3S*)-2-Methyl-3-phenylthiocyclohexanol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S
InChI InChI=1S/C15H20O2S/c1-11-14(17-12(2)16)9-6-10-15(11)18-13-7-4-3-5-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3/t11-,14-,15-/m0/s1
InChIKey REFKVKALBOTGIA-CQDKDKBSSA-N
Molecular Weight 264.383 g/mol
SMILES [C@@]1([C@@](Sc2ccccc2)(CCC[C@@]1(OC(=O)C)[H])[H])(C)[H]
SPLASH splash10-08fr-0910000000-aac1e0851004ad8546fd
Source of Spectrum AJ-69-2102-2
Synonyms (1R*,2R*,3R*)-2-Methyl-3-phenylthiocyclohexanol acetate (1S,2S,3S)-2-methyl-3-(phenylsulfanyl)cyclohexyl acetate
Wiley ID 773855