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2(S)-1-((Tert-butyldiphenylsilyl)oxy)-2-[1(S)-1(R)-oxyiranyl]propoxy]-4-(tolyl-4-sulfonyl)butane
SpectraBase Compound ID BtVCqDEajx4
InChI InChI=1S/C32H42O5SSi/c1-6-30(31-24-35-31)37-26(21-22-38(33,34)27-19-17-25(2)18-20-27)23-36-39(32(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-20,26,30-31H,6,21-24H2,1-5H3/t26-,30-,31+/m0/s1
InChIKey MPVIKPCNNXCIEZ-HOSFBAFGSA-N
Mol Weight 566.8 g/mol
Molecular Formula C32H42O5SSi
Exact Mass 566.252222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxAKNwDcrs6
Name 2(S)-1-((Tert-butyldiphenylsilyl)oxy)-2-[1(S)-1(R)-oxyiranyl]propoxy]-4-(tolyl-4-sulfonyl)butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.252222156 u
Formula C32H42O5SSi
InChI InChI=1S/C32H42O5SSi/c1-6-30(31-24-35-31)37-26(21-22-38(33,34)27-19-17-25(2)18-20-27)23-36-39(32(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-20,26,30-31H,6,21-24H2,1-5H3/t26-,30-,31+/m0/s1
InChIKey MPVIKPCNNXCIEZ-HOSFBAFGSA-N
Molecular Weight 566.828 g/mol
SMILES C=1(S(CC[C@](O[C@]([C@@]2(OC2)[H])(CC)[H])(CO[Si](C(C)(C)C)(C2=CC=CC=C2)C2=CC=CC=C2)[H])(=O)=O)C=CC(=CC1)C