| SpectraBase Compound ID | LMz9QcYIxuQ |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-14-20-27-23(25)18-15-19-24(26)28-21-22-16-12-11-13-17-22/h22H,2,5-21H2,1H3 |
| InChIKey | RUIKQVFUSCDCQN-UHFFFAOYSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OErcVdQfwF |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl dodec-9-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.292659764 u |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-14-20-27-23(25)18-15-19-24(26)28-21-22-16-12-11-13-17-22/h22H,2,5-21H2,1H3 |
| InChIKey | RUIKQVFUSCDCQN-UHFFFAOYSA-N |
| Molecular Weight | 392.580 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCCCCCCCC#CCC)=O |