| SpectraBase Compound ID | BjcpwNnYMLb |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-8-14(2)21-17(19)12-7-11-16(18)20-13-15-9-5-4-6-10-15/h3,14-15H,1,4-13H2,2H3 |
| InChIKey | JEOWPCAQDZIAOT-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KT1cs5pxwt4 |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-3-8-14(2)21-17(19)12-7-11-16(18)20-13-15-9-5-4-6-10-15/h3,14-15H,1,4-13H2,2H3 |
| InChIKey | JEOWPCAQDZIAOT-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC(C)CC=C)=O |