| SpectraBase Compound ID | 4osDRoeBmgV |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-5-6-11-17(3)24-20(22)14-9-13-19(21)23-15-18-12-8-7-10-16(18)2/h17H,4-15H2,1-3H3 |
| InChIKey | CWMNUSXCTVHAGX-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KRArXEvIJR |
|---|---|
| Name | Glutaric acid, (2-methylcyclohex-1-enyl)methyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-4-5-6-11-17(3)24-20(22)14-9-13-19(21)23-15-18-12-8-7-10-16(18)2/h17H,4-15H2,1-3H3 |
| InChIKey | CWMNUSXCTVHAGX-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC1=C(C)CCCC1)=O |