| SpectraBase Compound ID | 6yfKfJSsnr7 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-2-10-6-3-4-7-11(10)16-13(14)12-8-5-9-15-12/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | FQDJAEFKMNBQDP-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMoU0CU5lGs |
|---|---|
| Name | 2-Furancarboxylic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-2-10-6-3-4-7-11(10)16-13(14)12-8-5-9-15-12/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | FQDJAEFKMNBQDP-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C=1(OC=CC1)C(=O)OC1C(CC)CCCC1 |