| SpectraBase Compound ID | 6qsAkhfIXvM |
|---|---|
| InChI | InChI=1S/C14H14O6/c1-7-8-4-11(18-2)12(19-3)6-10(8)20-14(17)9(7)5-13(15)16/h4,6H,5H2,1-3H3,(H,15,16) |
| InChIKey | QAGBBRMCALSESL-UHFFFAOYSA-N |
| Mol Weight | 278.26 g/mol |
| Molecular Formula | C14H14O6 |
| Exact Mass | 278.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4lhAAM2uCL |
|---|---|
| Name | 2H-1-Benzopyran-3-acetic acid, 6,7-dimethoxy-4-methyl-2-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.079038165 u |
| Formula | C14H14O6 |
| InChI | InChI=1S/C14H14O6/c1-7-8-4-11(18-2)12(19-3)6-10(8)20-14(17)9(7)5-13(15)16/h4,6H,5H2,1-3H3,(H,15,16) |
| InChIKey | QAGBBRMCALSESL-UHFFFAOYSA-N |
| Molecular Weight | 278.260 g/mol |
| SMILES | OC(CC1=C(C2=CC(OC)=C(C=C2OC1=O)OC)C)=O |