| SpectraBase Compound ID | C9ef6oXt7tw |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(4)20(2)3/h20-21H,5-13,16-19H2,1-4H3 |
| InChIKey | ITTRJWLKFIPLRK-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lca5iVz4UTm |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(4)20(2)3/h20-21H,5-13,16-19H2,1-4H3 |
| InChIKey | ITTRJWLKFIPLRK-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C(C)C)C)=O |