| SpectraBase Compound ID | Dg71T8K2vBK |
|---|---|
| InChI | InChI=1S/C27H46O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28-30(2,3)4)24-27(23-25)29-31(5,6)7/h8,10-11,13-14,22-24H,1,9,12,15-21H2,2-7H3/b11-10-,14-13- |
| InChIKey | ZFYIDYQNIQSHND-XVTLYKPTSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C27H46O2Si2 |
| Exact Mass | 458.303634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1dqiuANj8K |
|---|---|
| Name | Cardoltriene, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.303633789 u |
| Formula | C27H46O2Si2 |
| InChI | InChI=1S/C27H46O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28-30(2,3)4)24-27(23-25)29-31(5,6)7/h8,10-11,13-14,22-24H,1,9,12,15-21H2,2-7H3/b11-10-,14-13- |
| InChIKey | ZFYIDYQNIQSHND-XVTLYKPTSA-N |
| Molecular Weight | 458.833 g/mol |
| SMILES | C1(=CC(=CC(=C1)CCCCCCC\C=C/C\C=C/CC=C)O[Si](C)(C)C)O[Si](C)(C)C |