| SpectraBase Compound ID | IcYRXVQin2q |
|---|---|
| InChI | InChI=1S/C21H36O5/c1-2-3-4-5-6-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-17-11-10-15-24-17/h17-19H,2-16H2,1H3 |
| InChIKey | QYTUZABTSGPWQH-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H36O5 |
| Exact Mass | 368.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fylwaW89Dw |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, furfuryl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.256274254 u |
| Formula | C21H36O5 |
| InChI | InChI=1S/C21H36O5/c1-2-3-4-5-6-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-17-11-10-15-24-17/h17-19H,2-16H2,1H3 |
| InChIKey | QYTUZABTSGPWQH-UHFFFAOYSA-N |
| Molecular Weight | 368.514 g/mol |
| SMILES | CCCCCCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O |