| SpectraBase Compound ID | 4VP6dzuLiai |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-18-22(24)26-20(3)5-2/h2,20H,4,6-13,16-19H2,1,3H3 |
| InChIKey | TUNRMAFEKIQDNW-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bYbEujHBKm |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-18-22(24)26-20(3)5-2/h2,20H,4,6-13,16-19H2,1,3H3 |
| InChIKey | TUNRMAFEKIQDNW-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C)C#C)=O |