| SpectraBase Compound ID | DtISBc5foiq |
|---|---|
| InChI | InChI=1S/C14H14O4/c1-8(2)17-14(16)13-7-11(15)10-6-9(3)4-5-12(10)18-13/h4-8H,1-3H3 |
| InChIKey | YHAVSHKETNLCCT-UHFFFAOYSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C14H14O4 |
| Exact Mass | 246.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 37T0sgnG04L |
|---|---|
| Name | 6-Methylchromone-2-carboxylic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.089208927 u |
| Formula | C14H14O4 |
| InChI | InChI=1S/C14H14O4/c1-8(2)17-14(16)13-7-11(15)10-6-9(3)4-5-12(10)18-13/h4-8H,1-3H3 |
| InChIKey | YHAVSHKETNLCCT-UHFFFAOYSA-N |
| Molecular Weight | 246.262 g/mol |
| SMILES | C1=CC=2OC(C(OC(C)C)=O)=CC(C2C=C1C)=O |