| SpectraBase Compound ID | 5DZvzTJFNsk |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-6-7-8-9-15-24-20(22)11-10-12-21(23)25-19(16-18(4)5)14-13-17(2)3/h18-19H,2,6-12,15-16H2,1,3-5H3 |
| InChIKey | IOFBGBBGNVMANP-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KI52jcZWRSG |
|---|---|
| Name | Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.245709571 u |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-6-7-8-9-15-24-20(22)11-10-12-21(23)25-19(16-18(4)5)14-13-17(2)3/h18-19H,2,6-12,15-16H2,1,3-5H3 |
| InChIKey | IOFBGBBGNVMANP-UHFFFAOYSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | CC(CC(OC(CCCC(OCCCCCC)=O)=O)C#CC(=C)C)C |