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(1S,2R,3R)-4-[1-(3,5-Dimethoxy-2,6-diiodophenoxy)-2,3-epoxy-3-trimethylsilylpropanyl]phenyl acetate
SpectraBase Compound ID DDd9aLBFVw9
InChI InChI=1S/C22H26I2O6Si/c1-12(25)28-14-9-7-13(8-10-14)19(21-22(30-21)31(4,5)6)29-20-17(23)15(26-2)11-16(27-3)18(20)24/h7-11,19,21-22H,1-6H3/t19-,21+,22+/m0/s1
InChIKey FXSRBABGTJIKHC-KSEOMHKRSA-N
Mol Weight 668.34 g/mol
Molecular Formula C22H26I2O6Si
Exact Mass 667.958805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbAcvNIPLLZ
Name (1S,2R,3R)-4-[1-(3,5-Dimethoxy-2,6-diiodophenoxy)-2,3-epoxy-3-trimethylsilylpropanyl]phenyl acetate
Alternate Name(s) 4-{(S)-(2,6-diiodo-3,5-dimethoxyphenoxy)[(2R,3R)-3-(trimethylsilyl)oxiranyl]methyl}phenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26I2O6Si
InChI InChI=1S/C22H26I2O6Si/c1-12(25)28-14-9-7-13(8-10-14)19(21-22(30-21)31(4,5)6)29-20-17(23)15(26-2)11-16(27-3)18(20)24/h7-11,19,21-22H,1-6H3/t19-,21+,22+/m0/s1
InChIKey FXSRBABGTJIKHC-KSEOMHKRSA-N
Molecular Weight 668.338 g/mol
SMILES [C@@]1([C@@]([Si](C)(C)C)(O1)[H])([C@@](Oc1c(c(OC)cc(c1I)OC)I)(c1ccc(OC(=O)C)cc1)[H])[H]
SPLASH splash10-00di-9650100000-c1d32a5dad74080b0b8b
Source of Spectrum F-50-5483-19
Wiley ID 1413823