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(R1,S2,RS)-2-p-Tolylsulfinylcycloheptanol
SpectraBase Compound ID FJMLzByBKLf
InChI InChI=1S/C14H20O2S/c1-11-7-9-12(10-8-11)17(16)14-6-4-2-3-5-13(14)15/h7-10,13-15H,2-6H2,1H3/t13-,14+,17?/m1/s1
InChIKey GJACMFKZZUUCDD-LICQEQMYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Uo8RfgzItw
Name (R1,S2,RS)-2-p-Tolylsulfinylcycloheptanol
Alternate Name(s) (1R,2S)-2-[(4-methylphenyl)sulfinyl]cycloheptanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-11-7-9-12(10-8-11)17(16)14-6-4-2-3-5-13(14)15/h7-10,13-15H,2-6H2,1H3/t13-,14+,17?/m1/s1
InChIKey GJACMFKZZUUCDD-LICQEQMYSA-N
Molecular Weight 252.372 g/mol
SMILES O[C@]1([C@@](S(c2ccc(cc2)C)=O)(CCCCC1)[H])[H]
SPLASH splash10-0006-4900000000-0496832cadb7af6d9200
Source of Spectrum F-50-9362-7
Wiley ID 1255524