| SpectraBase Compound ID | B50PMaJ4aXs |
|---|---|
| InChI | InChI=1S/C21H20O5/c1-12(2)4-9-15-17(23)10-18(25-3)19-20(24)16(11-26-21(15)19)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3 |
| InChIKey | YYJKPTFNQQMOBK-UHFFFAOYSA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C21H20O5 |
| Exact Mass | 352.131074 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 | E7SwVSRBFfk |
|---|---|
| Name | 5-o-Methyllupiwighteone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.131073739 u |
| Formula | C21H20O5 |
| InChI | InChI=1S/C21H20O5/c1-12(2)4-9-15-17(23)10-18(25-3)19-20(24)16(11-26-21(15)19)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3 |
| InChIKey | YYJKPTFNQQMOBK-UHFFFAOYSA-N |
| Molecular Weight | 352.386 g/mol |
| SMILES | C12=C(C(=CC(=C2CC=C(C)C)O)OC)C(C(=CO1)C1=CC=C(C=C1)O)=O |