| SpectraBase Compound ID | GX9qR0jPtiT |
|---|---|
| InChI | InChI=1S/C14H12O5/c1-14(2)6-8(15)12-10(19-14)5-9-7(13(12)17)3-4-11(16)18-9/h3-5,17H,6H2,1-2H3 |
| InChIKey | XFSINVCSJTYZGH-UHFFFAOYSA-N |
| Mol Weight | 260.24 g/mol |
| Molecular Formula | C14H12O5 |
| Exact Mass | 260.068473 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 | 8s5wopSwmPj |
|---|---|
| Name | Clausenin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.068473481 u |
| Formula | C14H12O5 |
| InChI | InChI=1S/C14H12O5/c1-14(2)6-8(15)12-10(19-14)5-9-7(13(12)17)3-4-11(16)18-9/h3-5,17H,6H2,1-2H3 |
| InChIKey | XFSINVCSJTYZGH-UHFFFAOYSA-N |
| Molecular Weight | 260.245 g/mol |
| SMILES | C1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)(C)C)O)=O |