| SpectraBase Compound ID | 3nYjIQmlxlW |
|---|---|
| InChI | InChI=1S/C14H14O4/c1-2-3-8-17-14(16)13-9-11(15)10-6-4-5-7-12(10)18-13/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | PFLSXYQHAIZJPA-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 | BQyz3t6gaZs |
|---|---|
| Name | Chromone-2-carboxylic acid, N-butyl 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/c1-2-3-8-17-14(16)13-9-11(15)10-6-4-5-7-12(10)18-13/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | PFLSXYQHAIZJPA-UHFFFAOYSA-N |
| Molecular Weight | 246.262 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(C(OCCCC)=O)=CC2=O |