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(2R,Ss)-(2Z)-2-[(1S)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-2-[(1'R)-1'-hydroxy-1'-(4-methoxyphenyl)methyl]-1,3-Benzoxathiole-3(2H)-oxide

View entire compound with spectra: 2 MS (GC)

(2R,Ss)-(2Z)-2-[(1S)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-2-[(1'R)-1'-hydroxy-1'-(4-methoxyphenyl)methyl]-1,3-Benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 2HxgxSNfYCe
InChI InChI=1S/C23H22O6S/c1-27-17-11-7-15(8-12-17)21(24)23(22(25)16-9-13-18(28-2)14-10-16)29-19-5-3-4-6-20(19)30(23)26/h3-14,21-22,24-25H,1-2H3
InChIKey CCDZGKAWTUNFMO-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C23H22O6S
Exact Mass 426.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHsNRKRajen
Name (2R,Ss)-(2Z)-2-[(1S)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-2-[(1'R)-1'-hydroxy-1'-(4-methoxyphenyl)methyl]-1,3-Benzoxathiole-3(2H)-oxide
Alternate Name(s) (2S,Ss)-(2E)-2-[(1R)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-2-[(1'S)-1'-hydroxy-1'-(4-methoxyphenyl)methyl]-1,3-Benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O6S
InChI InChI=1S/C23H22O6S/c1-27-17-11-7-15(8-12-17)21(24)23(22(25)16-9-13-18(28-2)14-10-16)29-19-5-3-4-6-20(19)30(23)26/h3-14,21-22,24-25H,1-2H3
InChIKey CCDZGKAWTUNFMO-UHFFFAOYSA-N
Molecular Weight 426.483 g/mol
SMILES OC(C1(C(c2ccc(cc2)OC)O)S(c2ccccc2O1)=O)c1ccc(cc1)OC
SPLASH splash10-000i-3930000000-f2d0b7e11f3f2cd98863
Source of Spectrum F-57-10374-11
Wiley ID 1626834