| SpectraBase Compound ID | 2r7aRBueNjq |
|---|---|
| InChI | InChI=1S/C21H26O5/c1-13(7-15-5-6-18-19(10-15)26-12-25-18)14(2)8-16-9-17(22)21(24-4)20(11-16)23-3/h5-6,9-11,13-14,22H,7-8,12H2,1-4H3 |
| InChIKey | ZGHOATLFXGBJGZ-UHFFFAOYSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C21H26O5 |
| Exact Mass | 358.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1Q80bym9QJL |
|---|---|
| Name | Sphenanlignan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.178023932 u |
| Formula | C21H26O5 |
| InChI | InChI=1S/C21H26O5/c1-13(7-15-5-6-18-19(10-15)26-12-25-18)14(2)8-16-9-17(22)21(24-4)20(11-16)23-3/h5-6,9-11,13-14,22H,7-8,12H2,1-4H3 |
| InChIKey | ZGHOATLFXGBJGZ-UHFFFAOYSA-N |
| Molecular Weight | 358.434 g/mol |
| SMILES | C1(=C(C(=CC(=C1)CC(C(CC1=CC2=C(OCO2)C=C1)C)C)OC)OC)O |