| SpectraBase Compound ID | BtAHcMNox77 |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-2-3-4-5-6-9-15-12(13)11-8-7-10-14-11/h7-8,10H,2-6,9H2,1H3 |
| InChIKey | ILSZSJQYHGISIK-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OEkPUj5hSl |
|---|---|
| Name | 2-Furancarboxylic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-2-3-4-5-6-9-15-12(13)11-8-7-10-14-11/h7-8,10H,2-6,9H2,1H3 |
| InChIKey | ILSZSJQYHGISIK-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | CCCCCCCOC(=O)C=1OC=CC1 |