| SpectraBase Compound ID | 2EyjbXhRZvt |
|---|---|
| InChI | InChI=1S/C20H34O5/c1-2-3-4-5-8-13-24-19(21)17-11-6-7-12-18(17)20(22)25-15-16-10-9-14-23-16/h16-18H,2-15H2,1H3 |
| InChIKey | GQVIGEMIZLUMDV-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H34O5 |
| Exact Mass | 354.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aeCVyUwZ57 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, furfuryl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.240624190 u |
| Formula | C20H34O5 |
| InChI | InChI=1S/C20H34O5/c1-2-3-4-5-8-13-24-19(21)17-11-6-7-12-18(17)20(22)25-15-16-10-9-14-23-16/h16-18H,2-15H2,1H3 |
| InChIKey | GQVIGEMIZLUMDV-UHFFFAOYSA-N |
| Molecular Weight | 354.487 g/mol |
| SMILES | C(OC(C1CCCCC1C(OCCCCCCC)=O)=O)C1OCCC1 |