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6,7-Dihydroxy-2,2-dimethyl-4-[p-(methylphenyl)sulfonamido]-5-(2'-trimethylsilyl-1'-ethynyl)-perhydro-1,3-benzodioxole
SpectraBase Compound ID F5y1fQHoa3d
InChI InChI=1S/C21H31NO6SSi/c1-13-7-9-14(10-8-13)29(25,26)22-16-15(11-12-30(4,5)6)17(23)18(24)20-19(16)27-21(2,3)28-20/h7-10,15-20,22-24H,1-6H3/t15-,16?,17+,18+,19?,20?/m1/s1
InChIKey ZSDJFKHKJSBGQW-SMZFNXLUSA-N
Mol Weight 453.63 g/mol
Molecular Formula C21H31NO6SSi
Exact Mass 453.164135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jyo9TUPHkEP
Name 6,7-Dihydroxy-2,2-dimethyl-4-[p-(methylphenyl)sulfonamido]-5-(2'-trimethylsilyl-1'-ethynyl)-perhydro-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO6SSi
InChI InChI=1S/C21H31NO6SSi/c1-13-7-9-14(10-8-13)29(25,26)22-16-15(11-12-30(4,5)6)17(23)18(24)20-19(16)27-21(2,3)28-20/h7-10,15-20,22-24H,1-6H3/t15-,16?,17+,18+,19?,20?/m1/s1
InChIKey ZSDJFKHKJSBGQW-SMZFNXLUSA-N
Molecular Weight 453.625 g/mol
SMILES N(C1[C@]([C@@]([C@@](C2C1OC(O2)(C)C)(O)[H])(O)[H])(C#C[Si](C)(C)C)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9510000000-0f82c0674e8fa326b6b5
Source of Spectrum AH-84-1324-24
Wiley ID 1584816