| SpectraBase Compound ID | DOlzWR8rG59 |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(3)17-5-2/h5,21H,2,4,6-13,16-20H2,1,3H3 |
| InChIKey | BURFTENMAZRKNE-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O4 |
| Exact Mass | 378.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQtWyKz5Edz |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.277009700 u |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(3)17-5-2/h5,21H,2,4,6-13,16-20H2,1,3H3 |
| InChIKey | BURFTENMAZRKNE-UHFFFAOYSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C)CC=C)=O |