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(R1,S2,RS)-2-p-Tolylsulfinylcyclohexanol
SpectraBase Compound ID 6nSrmMfuadU
InChI InChI=1S/C13H18O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13+,16?/m1/s1
InChIKey NQEMHDDYIOYJSI-IMSGDLLMSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd3tBbf0dv7
Name (R1,S2,RS)-2-p-Tolylsulfinylcyclohexanol
Alternate Name(s) (1R,2S)-2-[(4-methylphenyl)sulfinyl]cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13+,16?/m1/s1
InChIKey NQEMHDDYIOYJSI-IMSGDLLMSA-N
Molecular Weight 238.345 g/mol
SMILES O[C@]1([C@@](S(c2ccc(cc2)C)=O)(CCCC1)[H])[H]
SPLASH splash10-0006-3900000000-66f8f52a9b952c1989cc
Source of Spectrum F-50-9363-8
Wiley ID 1240451