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[1'S,1S,2R,(S)R]1-[1'-(tert-Butoxycarbonyl)ethyl]-2-(p-tolylsulfinyl)cyclohexanol
SpectraBase Compound ID 9zVU0UCa7l9
InChI InChI=1S/C20H30O4S/c1-14-9-11-16(12-10-14)25(23)17-8-6-7-13-20(17,22)15(2)18(21)24-19(3,4)5/h9-12,15,17,22H,6-8,13H2,1-5H3/t15-,17-,20+,25?/m1/s1
InChIKey XHYHMWGRWVAYCW-NJXHNXPVSA-N
Mol Weight 366.52 g/mol
Molecular Formula C20H30O4S
Exact Mass 366.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpwbRczYyXG
Name [1'S,1S,2R,(S)R]1-[1'-(tert-Butoxycarbonyl)ethyl]-2-(p-tolylsulfinyl)cyclohexanol
Alternate Name(s) tert-Butyl (2S)-2-{(1S,2R)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexyl}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4S
InChI InChI=1S/C20H30O4S/c1-14-9-11-16(12-10-14)25(23)17-8-6-7-13-20(17,22)15(2)18(21)24-19(3,4)5/h9-12,15,17,22H,6-8,13H2,1-5H3/t15-,17-,20+,25?/m1/s1
InChIKey XHYHMWGRWVAYCW-NJXHNXPVSA-N
Molecular Weight 366.516 g/mol
SMILES O[C@]1([C@]([S@](c2ccc(cc2)C)=O)(CCCC1)[H])[C@@](C(OC(C)(C)C)=O)(C)[H]
SPLASH splash10-006w-5910000000-34e66180328904c63990
Source of Spectrum J-61-9468-13
Wiley ID 1351940