| SpectraBase Compound ID | GYjc1lR9ivX |
|---|---|
| InChI | InChI=1S/C18H26O12/c1-2-18(9-22-3-12-6-25-15(19)28-12,10-23-4-13-7-26-16(20)29-13)11-24-5-14-8-27-17(21)30-14/h12-14H,2-11H2,1H3 |
| InChIKey | INECIFOTGMOUMW-UHFFFAOYSA-N |
| Mol Weight | 434.39 g/mol |
| Molecular Formula | C18H26O12 |
| Exact Mass | 434.142426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6NE0ECFiaR |
|---|---|
| Name | Trimethylpropanol tricyclocarbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.142426265 u |
| Formula | C18H26O12 |
| InChI | InChI=1S/C18H26O12/c1-2-18(9-22-3-12-6-25-15(19)28-12,10-23-4-13-7-26-16(20)29-13)11-24-5-14-8-27-17(21)30-14/h12-14H,2-11H2,1H3 |
| InChIKey | INECIFOTGMOUMW-UHFFFAOYSA-N |
| Molecular Weight | 434.394 g/mol |
| SMILES | C(C(CC)(COCC1OC(OC1)=O)COCC1COC(O1)=O)OCC1OC(OC1)=O |