| SpectraBase Compound ID | 52O7IXW18P0 |
|---|---|
| InChI | InChI=1S/C21H33NO4Si2/c1-21(26-28(6,7)8,14-24-27(3,4)5)18-13-16-19(23-2)15-11-9-10-12-17(15)22-20(16)25-18/h9-12,18H,13-14H2,1-8H3 |
| InChIKey | KQNFSKHUCUBVHB-UHFFFAOYSA-N |
| Mol Weight | 419.7 g/mol |
| Molecular Formula | C21H33NO4Si2 |
| Exact Mass | 419.194812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cZlyyyRYOP |
|---|---|
| Name | Dubinidine, 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.194811613 u |
| Formula | C21H33NO4Si2 |
| InChI | InChI=1S/C21H33NO4Si2/c1-21(26-28(6,7)8,14-24-27(3,4)5)18-13-16-19(23-2)15-11-9-10-12-17(15)22-20(16)25-18/h9-12,18H,13-14H2,1-8H3 |
| InChIKey | KQNFSKHUCUBVHB-UHFFFAOYSA-N |
| Molecular Weight | 419.668 g/mol |
| SMILES | COC1=C2C(=NC=3OC(C(O[Si](C)(C)C)(CO[Si](C)(C)C)C)CC13)C=CC=C2 |