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1,3-Benzodioxol-5(4H)-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-2,2-dimethyl-7-(phenylthio)-, [3aR-(3a.alpha.,4.beta.,7.alpha.,7a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1,3-Benzodioxol-5(4H)-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-2,2-dimethyl-7-(phenylthio)-, [3aR-(3a.alpha.,4.beta.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID 6lUenuAsUC6
InChI InChI=1S/C21H32O4SSi/c1-20(2,3)27(6,7)25-17-15(22)13-16(26-14-11-9-8-10-12-14)18-19(17)24-21(4,5)23-18/h8-12,16-19H,13H2,1-7H3/t16-,17-,18+,19-/m0/s1
InChIKey JXRJMQXINGFUGA-OKYOBFRVSA-N
Mol Weight 408.6 g/mol
Molecular Formula C21H32O4SSi
Exact Mass 408.179057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1A4YLk8Qd6C
Name 1,3-Benzodioxol-5(4H)-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-2,2-dimethyl-7-(phenylthio)-, [3aR-(3a.alpha.,4.beta.,7.alpha.,7a.alpha.)]-
CAS Registry Number 101246-14-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4SSi
InChI InChI=1S/C21H32O4SSi/c1-20(2,3)27(6,7)25-17-15(22)13-16(26-14-11-9-8-10-12-14)18-19(17)24-21(4,5)23-18/h8-12,16-19H,13H2,1-7H3/t16-,17-,18+,19-/m0/s1
InChIKey JXRJMQXINGFUGA-OKYOBFRVSA-N
Molecular Weight 408.628 g/mol
SMILES [C@]12([C@](C(=O)C[C@@]([C@]2(OC(O1)(C)C)[H])(Sc1ccccc1)[H])(O[Si](C(C)(C)C)(C)C)[H])[H]
SPLASH splash10-009y-4920000000-31ef67d49465ee209082
Source of Spectrum H-68-994-20
Synonyms (3aR,4R,7S,7aS)-4-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethyl-7-(phenylsulfanyl)tetrahydro-1,3-benzodioxol-5(4H)-one 2d-(2,3,4/5)-2-O-[(tert-butyl)dimethylsilyl]-2,3,4-trihydroxy-3,4-O-isopropylidene-5-phenylthio-1-cyclohexanone
Wiley ID 1372885