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(Rs)-3-exo-Benzyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
SpectraBase Compound ID 87asQAvxIhE
InChI InChI=1S/C21H24O3S/c1-16-10-12-18(13-11-16)25(22)15-21(14-17-6-3-2-4-7-17)23-19-8-5-9-20(19)24-21/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3/t19-,20+,21-,25?
InChIKey DOMYDICUWMSODL-OVZPOALRSA-N
Mol Weight 356.48 g/mol
Molecular Formula C21H24O3S
Exact Mass 356.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpM8CtcfVxI
Name (Rs)-3-exo-Benzyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O3S
InChI InChI=1S/C21H24O3S/c1-16-10-12-18(13-11-16)25(22)15-21(14-17-6-3-2-4-7-17)23-19-8-5-9-20(19)24-21/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3/t19-,20+,21-,25?
InChIKey DOMYDICUWMSODL-OVZPOALRSA-N
Molecular Weight 356.480 g/mol
SMILES [C@]1(C[S@](c2ccc(cc2)C)=O)(O[C@@]2(CCC[C@@]2(O1)[H])[H])Cc1ccccc1
SPLASH splash10-03di-0090000000-c0fd93c0d0bdf728e57f
Source of Spectrum F-52-6535-6
Synonyms (2S,3aR,6aS)-2-Benzyl-2-((R)-toluene-4-sulfinylmethyl)-tetrahydro-cyclopenta[1,3]dioxole (3aR,6aS)-2-benzyl-2-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-3aH-cyclopenta[d][1,3]dioxole [(3aR,6aS)-2-benzyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl]methyl 4-methylphenyl sulfoxide
Wiley ID 796603