| SpectraBase Compound ID | Fb59sTX6XhS |
|---|---|
| InChI | InChI=1S/C17H28O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h13-15H,2-12H2,1H3 |
| InChIKey | WEXOBQVQMZSOEI-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C17H28O5 |
| Exact Mass | 312.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhLxLIICOWC |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl furfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.193673997 u |
| Formula | C17H28O5 |
| InChI | InChI=1S/C17H28O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h13-15H,2-12H2,1H3 |
| InChIKey | WEXOBQVQMZSOEI-UHFFFAOYSA-N |
| Molecular Weight | 312.406 g/mol |
| SMILES | CCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O |