| SpectraBase Compound ID | 6xxUeXLgHzg |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-7-4-9-5-10(18-8(2)14)6-11(16-3)12(9)13(15)17-7/h5-7H,4H2,1-3H3 |
| InChIKey | HSXUHPIZKSHITR-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 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 | 8YxZgI9vsHY |
|---|---|
| Name | 6-Hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-7-4-9-5-10(18-8(2)14)6-11(16-3)12(9)13(15)17-7/h5-7H,4H2,1-3H3 |
| InChIKey | HSXUHPIZKSHITR-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C1(OC(=O)C)=CC2=C(C(=O)OC(C)C2)C(OC)=C1 |