| SpectraBase Compound ID | 4hxUl3hCZcw |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-9-5-6-11(8-10(9)2)16-13(14)12-4-3-7-15-12/h3-8H,1-2H3 |
| InChIKey | PYFUZBDKZVQFRK-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MSWcIKRtf8 |
|---|---|
| Name | 2-Furancarboxylic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-9-5-6-11(8-10(9)2)16-13(14)12-4-3-7-15-12/h3-8H,1-2H3 |
| InChIKey | PYFUZBDKZVQFRK-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C(=O)(C=1OC=CC1)OC=1C=C(C(C)=CC1)C |