| SpectraBase Compound ID | C0r2OWzcmTa |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h3-4,13-15H,2,5-12H2,1H3 |
| InChIKey | IYQKQGJAPCBFID-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3thV7mwtGPP |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h3-4,13-15H,2,5-12H2,1H3 |
| InChIKey | IYQKQGJAPCBFID-UHFFFAOYSA-N |
| SMILES | C1(CC=CCC1)COC(C1C(CCCC1)C(OCC)=O)=O |