| SpectraBase Compound ID | 2M1E1CPvd7c |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15-2/h3-6H,1-2H3 |
| InChIKey | SQNCAMKGCRBIJA-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dz1mUDaydYU |
|---|---|
| Name | 6-Methyl-4-chromone-2-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15-2/h3-6H,1-2H3 |
| InChIKey | SQNCAMKGCRBIJA-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C1=CC=2OC(C(OC)=O)=CC(C2C=C1C)=O |