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(1S,3S,5R)-3-exo-Phenyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
SpectraBase Compound ID 8GWFE34zbx0
InChI InChI=1S/C20H22O3S/c1-15-10-12-17(13-11-15)24(21)14-20(16-6-3-2-4-7-16)22-18-8-5-9-19(18)23-20/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3/t18-,19+,20+,24?
InChIKey FKYMENGLPWKANI-VSAVNLLRSA-N
Mol Weight 342.45 g/mol
Molecular Formula C20H22O3S
Exact Mass 342.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a7NtRqodAQ
Name (1S,3S,5R)-3-exo-Phenyl-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 C20H22O3S
InChI InChI=1S/C20H22O3S/c1-15-10-12-17(13-11-15)24(21)14-20(16-6-3-2-4-7-16)22-18-8-5-9-19(18)23-20/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3/t18-,19+,20+,24?
InChIKey FKYMENGLPWKANI-VSAVNLLRSA-N
Molecular Weight 342.453 g/mol
SMILES [C@]1(C[S@](c2ccc(cc2)C)=O)(O[C@@]2(CCC[C@@]2(O1)[H])[H])c1ccccc1
SPLASH splash10-000i-0900000000-4210a0cd0a8fbb533850
Source of Spectrum F-52-6534-5
Synonyms (1S,3S,5R)-3-exo-Phenyl-3-endo-(R)-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane (3aR,6aS)-2-{[(4-methylphenyl)sulfinyl]methyl}-2-phenyltetrahydro-3aH-cyclopenta[d][1,3]dioxole (Rs)-3-exo-Phenyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane [(3aR,6aS)-2-phenyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl]methyl 4-methylphenyl sulfoxide
Wiley ID 796604