| SpectraBase Compound ID | AmZYt3VxtEw |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-15-10-6-4-3-5-9(10)11-7-8-12(17-11)13(14)16-2/h3-8H,1-2H3 |
| InChIKey | TVZHPPVFNVOWII-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 | aAjj958Twx |
|---|---|
| Name | 5-(2-Methoxyphenyl)-2-furoic acid, methyl 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/c1-15-10-6-4-3-5-9(10)11-7-8-12(17-11)13(14)16-2/h3-8H,1-2H3 |
| InChIKey | TVZHPPVFNVOWII-UHFFFAOYSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | COC1=C(C=2OC(C(OC)=O)=CC2)C=CC=C1 |