| SpectraBase Compound ID | EbOQd9v4I05 |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-3-5-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-19-23(25)27-21-16-8-6-4-2/h4H,2-3,5-14,16,18-22H2,1H3 |
| InChIKey | GBDOWRGZAYFTBQ-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 | KvdmPZSFJol |
|---|---|
| Name | Glutaric acid, hex-5-en-1-yl tridec-2-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/c1-3-5-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-19-23(25)27-21-16-8-6-4-2/h4H,2-3,5-14,16,18-22H2,1H3 |
| InChIKey | GBDOWRGZAYFTBQ-UHFFFAOYSA-N |
| Molecular Weight | 392.580 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCCCC=C)=O |