| SpectraBase Compound ID | 3XNOIWCGu4t |
|---|---|
| InChI | InChI=1S/C16H13ClO5/c1-7-4-8(20-2)5-10-12(7)15(19)13-9(18)6-11(21-3)14(17)16(13)22-10/h4-6,18H,1-3H3 |
| InChIKey | XHCJIWRCLSSDCD-UHFFFAOYSA-N |
| Mol Weight | 320.73 g/mol |
| Molecular Formula | C16H13ClO5 |
| Exact Mass | 320.045151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HwxCyDTyh5a |
|---|---|
| Name | 9H-Xanthen-9-one, 4-chloro-1-hydroxy-3,6-dimethoxy-8-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.045151214 u |
| Formula | C16H13ClO5 |
| InChI | InChI=1S/C16H13ClO5/c1-7-4-8(20-2)5-10-12(7)15(19)13-9(18)6-11(21-3)14(17)16(13)22-10/h4-6,18H,1-3H3 |
| InChIKey | XHCJIWRCLSSDCD-UHFFFAOYSA-N |
| Molecular Weight | 320.728 g/mol |
| SMILES | C12=C(OC3=C(C2=O)C(=CC(OC)=C3)C)C(Cl)=C(C=C1O)OC |