| SpectraBase Compound ID | BLJA8MdczKU |
|---|---|
| InChI | InChI=1S/C30H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(32-34(2,3)4)29(27)30(31)33-35(5,6)7/h15-16,23,25-26H,8-14,17-22,24H2,1-7H3/b16-15- |
| InChIKey | BAGWFTVIPRBAPX-NXVVXOECSA-N |
| Mol Weight | 518.9 g/mol |
| Molecular Formula | C30H54O3Si2 |
| Exact Mass | 518.361149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXnNRxlaBuB |
|---|---|
| Name | Merulinic acid, 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 518.361148666 u |
| Formula | C30H54O3Si2 |
| InChI | InChI=1S/C30H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(32-34(2,3)4)29(27)30(31)33-35(5,6)7/h15-16,23,25-26H,8-14,17-22,24H2,1-7H3/b16-15- |
| InChIKey | BAGWFTVIPRBAPX-NXVVXOECSA-N |
| Molecular Weight | 518.929 g/mol |
| SMILES | C(C1=C(O[Si](C)(C)C)C=CC=C1CCCCCCC\C=C/CCCCCCCC)(=O)O[Si](C)(C)C |