| SpectraBase Compound ID | EtGnWVm5nTL |
|---|---|
| InChI | InChI=1S/C28H48O3Si3/c1-32(2,3)29-26(19-16-25-17-22-28(23-18-25)31-34(7,8)9)13-11-10-12-24-14-20-27(21-15-24)30-33(4,5)6/h14-15,17-18,20-23,26H,10-13,16,19H2,1-9H3 |
| InChIKey | TWAQNCZUTZOCHG-UHFFFAOYSA-N |
| Mol Weight | 516.9 g/mol |
| Molecular Formula | C28H48O3Si3 |
| Exact Mass | 516.291125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10mjDbnaGLr |
|---|---|
| Name | Centrolobol, 3tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.291125008 u |
| Formula | C28H48O3Si3 |
| InChI | InChI=1S/C28H48O3Si3/c1-32(2,3)29-26(19-16-25-17-22-28(23-18-25)31-34(7,8)9)13-11-10-12-24-14-20-27(21-15-24)30-33(4,5)6/h14-15,17-18,20-23,26H,10-13,16,19H2,1-9H3 |
| InChIKey | TWAQNCZUTZOCHG-UHFFFAOYSA-N |
| Molecular Weight | 516.944 g/mol |
| SMILES | C[Si](OC=1C=CC(CCCCC(O[Si](C)(C)C)CCC2=CC=C(O[Si](C)(C)C)C=C2)=CC1)(C)C |