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(R,S)-1,2:5,6-Bis(cyclohexylidene)mannitol-3-S-tert-butylsulfinate
SpectraBase Compound ID 4SVkJSq1bIU
InChI InChI=1S/C22H38O7S/c1-18(2,3)30(28)29-15(22(27)17(25)20(22)12-8-5-9-13-20)14(23)21(26)16(24)19(21)10-6-4-7-11-19/h14-17,23-27H,4-13H2,1-3H3/t14-,15-,16-,17+,21-,22-,30?/m0/s1
InChIKey FCQGZCYWPUPYLX-CHLJYUDVSA-N
Mol Weight 446.6 g/mol
Molecular Formula C22H38O7S
Exact Mass 446.233825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7Br8VV2LvD
Name (R,S)-1,2:5,6-Bis(cyclohexylidene)mannitol-3-S-tert-butylsulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O7S
InChI InChI=1S/C22H38O7S/c1-18(2,3)30(28)29-15(22(27)17(25)20(22)12-8-5-9-13-20)14(23)21(26)16(24)19(21)10-6-4-7-11-19/h14-17,23-27H,4-13H2,1-3H3/t14-,15-,16-,17+,21-,22-,30?/m0/s1
InChIKey FCQGZCYWPUPYLX-CHLJYUDVSA-N
Molecular Weight 446.599 g/mol
SMILES O[C@@]1(C2([C@@]1([C@]([C@@]([C@]1(C3(CCCCC3)[C@@]1(O)[H])O)(O)[H])(OS(C(C)(C)C)=O)[H])O)CCCCC2)[H]
SPLASH splash10-000e-0056900000-f8888ceb9ce70af288fd
Source of Spectrum QC-7-1010-3
Wiley ID 869165