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(3S,4R,5S,6S)-1-Bromo-3,4,6-tris-[(1,1-dimethylethyl)dimethylsiloxy)-5-methoxycyclohexene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,4R,5S,6S)-1-Bromo-3,4,6-tris-[(1,1-dimethylethyl)dimethylsiloxy)-5-methoxycyclohexene
SpectraBase Compound ID DPWNKmpS3Qk
InChI InChI=1S/C25H53BrO4Si3/c1-23(2,3)31(11,12)28-19-17-18(26)20(29-32(13,14)24(4,5)6)22(27-10)21(19)30-33(15,16)25(7,8)9/h17,19-22H,1-16H3/t19-,20+,21+,22+/m0/s1
InChIKey CRPRSIYILWRDHN-DXBBTUNJSA-N
Mol Weight 581.9 g/mol
Molecular Formula C25H53BrO4Si3
Exact Mass 580.243503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oOCixVBK0o
Name (3S,4R,5S,6S)-1-Bromo-3,4,6-tris-[(1,1-dimethylethyl)dimethylsiloxy)-5-methoxycyclohexene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.243502788 u
Formula C25H53BrO4Si3
InChI InChI=1S/C25H53BrO4Si3/c1-23(2,3)31(11,12)28-19-17-18(26)20(29-32(13,14)24(4,5)6)22(27-10)21(19)30-33(15,16)25(7,8)9/h17,19-22H,1-16H3/t19-,20+,21+,22+/m0/s1
InChIKey CRPRSIYILWRDHN-DXBBTUNJSA-N
Molecular Weight 581.854 g/mol
SMILES [C@@]1([C@](C=C([C@]([C@]1(OC)[H])(O[Si](C(C)(C)C)(C)C)[H])Br)(O[Si](C(C)(C)C)(C)C)[H])(O[Si](C(C)(C)C)(C)C)[H]