| SpectraBase Compound ID | Fi42KkYdS25 |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-15-9-11(10-16(21-2)17(15)22-3)8-14-12-6-4-5-7-13(12)18(19)23-14/h4-10H,1-3H3/b14-8+ |
| InChIKey | GITAAAKDURRRPS-RIYZIHGNSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 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 | JcqMNwLOKGE |
|---|---|
| Name | (E)-3-(3',4',5'-Trimethoxy)benzylidenephthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-20-15-9-11(10-16(21-2)17(15)22-3)8-14-12-6-4-5-7-13(12)18(19)23-14/h4-10H,1-3H3/b14-8+ |
| InChIKey | GITAAAKDURRRPS-RIYZIHGNSA-N |
| SMILES | C1(O\C(C2=C1C=CC=C2)=C/C=1C=C(OC)C(=C(C1)OC)OC)=O |