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(E)-(2R,3S)-2,3-(Isopropylidenedioxy)-5-[(S)-(p-tolylsulfinyl)]-4-pentenyl p-toluenesulfonate
SpectraBase Compound ID Botm7myfsry
InChI InChI=1S/C22H26O6S2/c1-16-5-9-18(10-6-16)29(23)14-13-20-21(28-22(3,4)27-20)15-26-30(24,25)19-11-7-17(2)8-12-19/h5-14,20-21H,15H2,1-4H3/b14-13+/t20-,21+,29?/m0/s1
InChIKey XIUCZCWHLYYPRV-DBRDPQIFSA-N
Mol Weight 450.56 g/mol
Molecular Formula C22H26O6S2
Exact Mass 450.117081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6vCejiLB5Y
Name (E)-(2R,3S)-2,3-(Isopropylidenedioxy)-5-[(S)-(p-tolylsulfinyl)]-4-pentenyl p-toluenesulfonate
Alternate Name(s) (1E)-1,2-dideoxy-3,4-O-(1-methylethylidene)-1-[(4-methylphenyl)sulfinyl]-5-O-[(4-methylphenyl)sulfonyl]-D-erythro-pent-1-enitol (E)-(2R,3S)-2,3-(Isopropylidenedioxy)-5-[(R)-(p-tolylsulfinyl)]-4-pentenyl p-toluenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C22H26O6S2
InChI InChI=1S/C22H26O6S2/c1-16-5-9-18(10-6-16)29(23)14-13-20-21(28-22(3,4)27-20)15-26-30(24,25)19-11-7-17(2)8-12-19/h5-14,20-21H,15H2,1-4H3/b14-13+/t20-,21+,29?/m0/s1
InChIKey XIUCZCWHLYYPRV-DBRDPQIFSA-N
Molecular Weight 450.564 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(OC(C)(C)O[C@]1(\C=C\[S@@](c1ccc(cc1)C)=O)[H])[H]
SPLASH splash10-0006-9000100000-b5337d2409319b683391
Source of Spectrum F-56-7943-62
Wiley ID 858711