| SpectraBase Compound ID | Bwj6hbF4KD3 |
|---|---|
| InChI | InChI=1S/C23H36O3Si/c1-17-8-7-9-20-22(17,2)14-11-19(21(24)26-27(4,5)6)23(20,3)13-10-18-12-15-25-16-18/h8,12,15-16,19-20H,7,9-11,13-14H2,1-6H3/t19-,20-,22-,23-/m0/s1 |
| InChIKey | GXAAUYBVADVVGK-SQOUVECCSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C23H36O3Si |
| Exact Mass | 388.243372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 290t11hugMC |
|---|---|
| Name | Bacchabolivic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.243371551 u |
| Formula | C23H36O3Si |
| InChI | InChI=1S/C23H36O3Si/c1-17-8-7-9-20-22(17,2)14-11-19(21(24)26-27(4,5)6)23(20,3)13-10-18-12-15-25-16-18/h8,12,15-16,19-20H,7,9-11,13-14H2,1-6H3/t19-,20-,22-,23-/m0/s1 |
| InChIKey | GXAAUYBVADVVGK-SQOUVECCSA-N |
| Molecular Weight | 388.623 g/mol |
| SMILES | [C@@]1([C@@](CC[C@@]2([C@]1([H])CCC=C2C)C)(C(=O)O[Si](C)(C)C)[H])(C)CCC1=COC=C1 |