| SpectraBase Compound ID | 62TEkiiJmiv |
|---|---|
| InChI | InChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h17-18H,7-16,19-22H2,1-6H3/b18-17- |
| InChIKey | BAQHCGVJKGIVFT-ZCXUNETKSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C24H48O2Si |
| Exact Mass | 396.342357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CO8SwAoCcY3 |
|---|---|
| Name | Petroselinic acid, tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.342357319 u |
| Formula | C24H48O2Si |
| InChI | InChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h17-18H,7-16,19-22H2,1-6H3/b18-17- |
| InChIKey | BAQHCGVJKGIVFT-ZCXUNETKSA-N |
| Molecular Weight | 396.731 g/mol |
| SMILES | C(CCCC\C=C/CCCCCCCCCCC)(O[Si](C)(C)C(C)(C)C)=O |