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[1S,2R,(S)R]1-[tert-Butoxycarbonyl)methyl]-2-(p-tolylsulfinyl)cyclohexanol
SpectraBase Compound ID 3mO9XLFgd2i
InChI InChI=1S/C19H28O4S/c1-14-8-10-15(11-9-14)24(22)16-7-5-6-12-19(16,21)13-17(20)23-18(2,3)4/h8-11,16,21H,5-7,12-13H2,1-4H3/t16-,19+,24?/m1/s1
InChIKey BAZAINZYGORPLH-OFYJWOHPSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlmtPNNPbmy
Name [1S,2R,(S)R]1-[tert-Butoxycarbonyl)methyl]-2-(p-tolylsulfinyl)cyclohexanol
Alternate Name(s) tert-Butyl {(1S,2R)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-14-8-10-15(11-9-14)24(22)16-7-5-6-12-19(16,21)13-17(20)23-18(2,3)4/h8-11,16,21H,5-7,12-13H2,1-4H3/t16-,19+,24?/m1/s1
InChIKey BAZAINZYGORPLH-OFYJWOHPSA-N
Molecular Weight 352.489 g/mol
SMILES O[C@]1([C@](S(c2ccc(cc2)C)=O)(CCCC1)[H])CC(OC(C)(C)C)=O
SPLASH splash10-052g-2910000000-7b9c7d499e137f281fc1
Source of Spectrum J-61-9467-4
Wiley ID 1343190