| SpectraBase Compound ID | BSTqMGxSq3s |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-26-22(24)18-16-17-21(23)25-19-14-6-4-2/h3-4,6,8-20H2,1-2H3 |
| InChIKey | NXJAJUIJBJIXNH-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4F44u48IVpT |
|---|---|
| Name | Glutaric acid, dodec-9-ynyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-26-22(24)18-16-17-21(23)25-19-14-6-4-2/h3-4,6,8-20H2,1-2H3 |
| InChIKey | NXJAJUIJBJIXNH-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCC)=O)=O)C |