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13-Oxabicyclo[10.1.0]tridecane, 1-[2-methyl-3-[(4-methylphenyl)sulfonyl]propyl]-, [1R-[1R*(S*),12R*]]-
SpectraBase Compound ID LhPF8461QlZ
InChI InChI=1S/C23H36O3S/c1-19-12-14-21(15-13-19)27(24,25)18-20(2)17-23-16-10-8-6-4-3-5-7-9-11-22(23)26-23/h12-15,20,22H,3-11,16-18H2,1-2H3/t20?,22-,23-/m1/s1
InChIKey BHSWIHISSLHIDC-JHRSTNGLSA-N
Mol Weight 392.6 g/mol
Molecular Formula C23H36O3S
Exact Mass 392.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KEGSxg8X2
Name 13-Oxabicyclo[10.1.0]tridecane, 1-[2-methyl-3-[(4-methylphenyl)sulfonyl]propyl]-, [1R-[1R*(S*),12R*]]-
CAS Registry Number 63975-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3S
InChI InChI=1S/C23H36O3S/c1-19-12-14-21(15-13-19)27(24,25)18-20(2)17-23-16-10-8-6-4-3-5-7-9-11-22(23)26-23/h12-15,20,22H,3-11,16-18H2,1-2H3/t20?,22-,23-/m1/s1
InChIKey BHSWIHISSLHIDC-JHRSTNGLSA-N
Molecular Weight 392.598 g/mol
SMILES [C@@]12(O[C@@]2(CCCCCCCCCC1)[H])CC(CS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0apm-9520000000-ba72cbb9a45dde39a924
Source of Spectrum H-60-943-0
Synonyms (R)-(-)-3-(1.beta.,2.beta.-epoxy-1,2-ciscyclododecenyl)-2-methylpropyl-p-tolylsulfone (1R,12R)-1-{2-methyl-3-[(4-methylphenyl)sulfonyl]propyl}-13-oxabicyclo[10.1.0]tridecane (R)-(-)-3-(1.alpha.,2.alpha.-epoxy-1,2-cis-cyclodedecenyl)-2-methylpropyl-p-tolylsulfone 2-Methyl-3-[(1R,12R)-13-oxabicyclo[10.1.0]tridec-1-yl]propyl 4-methylphenyl sulfone
Wiley ID 1365904