| SpectraBase Compound ID | 8iLaFAi61MK |
|---|---|
| InChI | InChI=1S/C16H12O6/c1-21-9-5-13(19)16-10(7-15(20)22-14(16)6-9)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3 |
| InChIKey | DEVKCCHIUHLHCF-UHFFFAOYSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.063388 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 | I6eXjVmB4js |
|---|---|
| Name | 4-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-1-benzopyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.063388100 u |
| Formula | C16H12O6 |
| InChI | InChI=1S/C16H12O6/c1-21-9-5-13(19)16-10(7-15(20)22-14(16)6-9)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3 |
| InChIKey | DEVKCCHIUHLHCF-UHFFFAOYSA-N |
| SMILES | C1(OC=2C=C(C=C(C2C(=C1)C=1C=C(C(=CC1)O)O)O)OC)=O |