| SpectraBase Compound ID | 4jFGI6sQAki |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-3-5-7-8-9-10-11-12-13-14-19-25-21(23)17-15-16-20(22)24-18-6-4-2/h3-4,6,8-19H2,1-2H3 |
| InChIKey | HLZWTPJXYFJEJO-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2utNHbC6OcH |
|---|---|
| Name | Glutaric acid, butyl dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-3-5-7-8-9-10-11-12-13-14-19-25-21(23)17-15-16-20(22)24-18-6-4-2/h3-4,6,8-19H2,1-2H3 |
| InChIKey | HLZWTPJXYFJEJO-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCC)=O)=O)C |