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(1S,3S,5R)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
SpectraBase Compound ID 7iSHtLT3xKN
InChI InChI=1S/C15H20O3S/c1-11-6-8-12(9-7-11)19(16)10-15(2)17-13-4-3-5-14(13)18-15/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+,15-,19?
InChIKey OGCPNVFKBJZEEG-MYUHZXPASA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DRoaBqhXJs
Name (1S,3S,5R)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
Alternate Name(s) (3aR,6aS)-2-methyl-2-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-3aH-cyclopenta[d][1,3]dioxole (Rs)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane [(3aR,6aS)-2-methyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl]methyl 4-methylphenyl sulfoxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-11-6-8-12(9-7-11)19(16)10-15(2)17-13-4-3-5-14(13)18-15/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+,15-,19?
InChIKey OGCPNVFKBJZEEG-MYUHZXPASA-N
Molecular Weight 280.382 g/mol
SMILES [C@]1(C[S@](c2ccc(cc2)C)=O)(O[C@]2(CCC[C@]2(O1)[H])[H])C
SPLASH splash10-004i-0900000000-955933b657941f596201
Source of Spectrum F-52-6533-4
Wiley ID 796607