| SpectraBase Compound ID | 3ZKbyhEC0pV |
|---|---|
| InChI | InChI=1S/C28H47NO4Si2/c1-11-12-21-15-14-20-17-19(2)13-16-22(20)28(21,3)26(30)24-25(33-35(8,9)10)23(29(4)27(24)31)18-32-34(5,6)7/h11-12,14-15,19-23H,13,16-18H2,1-10H3/b12-11+/t19-,20-,21-,22-,23-,28-/m1/s1 |
| InChIKey | VLJAAKICDOBYNC-XQGITDTFSA-N |
| Mol Weight | 517.9 g/mol |
| Molecular Formula | C28H47NO4Si2 |
| Exact Mass | 517.304362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZdBULHOQkd |
|---|---|
| Name | Equisetin, 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 517.304362063 u |
| Formula | C28H47NO4Si2 |
| InChI | InChI=1S/C28H47NO4Si2/c1-11-12-21-15-14-20-17-19(2)13-16-22(20)28(21,3)26(30)24-25(33-35(8,9)10)23(29(4)27(24)31)18-32-34(5,6)7/h11-12,14-15,19-23H,13,16-18H2,1-10H3/b12-11+/t19-,20-,21-,22-,23-,28-/m1/s1 |
| InChIKey | VLJAAKICDOBYNC-XQGITDTFSA-N |
| Molecular Weight | 517.857 g/mol |
| SMILES | C1[C@](C[C@]2(C=C[C@]([C@]([C@@]2(C1)[H])(C(C=1C(N([C@@](C1O[Si](C)(C)C)(CO[Si](C)(C)C)[H])C)=O)=O)C)(\C=C\C)[H])[H])(C)[H] |