| SpectraBase Compound ID | Er5QN3sWk6i |
|---|---|
| InChI | InChI=1S/C20H26O3/c1-15-5-7-16(8-6-15)20(2,3)17-9-11-19(12-10-17)23-14-18(21)13-22-4/h5-12,18,21H,13-14H2,1-4H3 |
| InChIKey | ISMDGSCGUDSQOP-UHFFFAOYSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C20H26O3 |
| Exact Mass | 314.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHVaX28Ksas |
|---|---|
| Name | Polyhydroxyether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.188194694 u |
| Formula | C20H26O3 |
| InChI | InChI=1S/C20H26O3/c1-15-5-7-16(8-6-15)20(2,3)17-9-11-19(12-10-17)23-14-18(21)13-22-4/h5-12,18,21H,13-14H2,1-4H3 |
| InChIKey | ISMDGSCGUDSQOP-UHFFFAOYSA-N |
| Molecular Weight | 314.425 g/mol |
| Nominal Mass | 314 u |
| SMILES | C(OC1=CC=C(C(C2=CC=C(C=C2)C)(C)C)C=C1)C(COC)O |