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Endo, endo-2,6-bis(phenylsulfenyl)-9-oxabicyclo[3.3.1]-nonane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Endo, endo-2,6-bis(phenylsulfenyl)-9-oxabicyclo[3.3.1]-nonane
SpectraBase Compound ID 4JBMeSWBIaZ
InChI InChI=1S/C20H22OS2/c1-3-7-15(8-4-1)22-19-13-11-18-20(14-12-17(19)21-18)23-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKey CYEAHVGXNMKBJG-UAFMIMERSA-N
Mol Weight 342.52 g/mol
Molecular Formula C20H22OS2
Exact Mass 342.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPTtbqhSMqI
Name Endo, endo-2,6-bis(phenylsulfenyl)-9-oxabicyclo[3.3.1]-nonane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.111207675 u
Formula C20H22OS2
InChI InChI=1S/C20H22OS2/c1-3-7-15(8-4-1)22-19-13-11-18-20(14-12-17(19)21-18)23-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKey CYEAHVGXNMKBJG-UAFMIMERSA-N
Molecular Weight 342.515 g/mol
SMILES [C@]12(CC[C@@](SC3=CC=CC=C3)([C@@](CC[C@]1(SC1=CC=CC=C1)[H])(O2)[H])[H])[H]