| SpectraBase Compound ID | JPRasORpaSq |
|---|---|
| InChI | InChI=1S/C18H30O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h14-16H,2-13H2,1H3 |
| InChIKey | OVGAWYBUXLBPPX-UHFFFAOYSA-N |
| Mol Weight | 326.43 g/mol |
| Molecular Formula | C18H30O5 |
| Exact Mass | 326.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DASmplMW1w5 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, furfuryl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.209324061 u |
| Formula | C18H30O5 |
| InChI | InChI=1S/C18H30O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h14-16H,2-13H2,1H3 |
| InChIKey | OVGAWYBUXLBPPX-UHFFFAOYSA-N |
| Molecular Weight | 326.433 g/mol |
| SMILES | CCCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O |