| SpectraBase Compound ID | 9I5nOlmYImy |
|---|---|
| InChI | InChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-13-12-16(14-18(17)23-7)15-19(22)25-27(10,11)21(4,5)6/h12-14H,15H2,1-11H3 |
| InChIKey | FDHILQPZGKJPBA-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C21H38O4Si2 |
| Exact Mass | 410.230863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJlmEvAWitf |
|---|---|
| Name | Homovanillic acid, 2tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.230862770 u |
| Formula | C21H38O4Si2 |
| InChI | InChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-13-12-16(14-18(17)23-7)15-19(22)25-27(10,11)21(4,5)6/h12-14H,15H2,1-11H3 |
| InChIKey | FDHILQPZGKJPBA-UHFFFAOYSA-N |
| Molecular Weight | 410.701 g/mol |
| SMILES | C1=CC(=CC(=C1O[Si](C)(C(C)(C)C)C)OC)CC(=O)O[Si](C)(C(C)(C)C)C |