| SpectraBase Compound ID | JpGYgwZU1L1 |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-2-7-16-13(15)12-8-10(14)9-5-3-4-6-11(9)17-12/h3-6,8H,2,7H2,1H3 |
| InChIKey | VKCCONQDMWKUOB-UHFFFAOYSA-N |
| Mol Weight | 232.23 g/mol |
| Molecular Formula | C13H12O4 |
| Exact Mass | 232.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDuCQmPhHDa |
|---|---|
| Name | Chromone-2-carboxylic acid, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.073558862 u |
| Formula | C13H12O4 |
| InChI | InChI=1S/C13H12O4/c1-2-7-16-13(15)12-8-10(14)9-5-3-4-6-11(9)17-12/h3-6,8H,2,7H2,1H3 |
| InChIKey | VKCCONQDMWKUOB-UHFFFAOYSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(C(OCCC)=O)=CC2=O |