| SpectraBase Compound ID | AKGrkgTb7bY |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,4-8,10-14H2,1-2H3 |
| InChIKey | AHYKYOUCDZNQNB-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mcGxP9AZMU |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,4-8,10-14H2,1-2H3 |
| InChIKey | AHYKYOUCDZNQNB-UHFFFAOYSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC(CC)C#CC)=O |