| SpectraBase Compound ID | 8Oj9yKJ7Fn2 |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-4-7-8-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(6-3)16-5-2/h20H,4,6-15,17-19H2,1-3H3 |
| InChIKey | QDIVWZGIVSAZKY-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 | JGeQYSd4FR8 |
|---|---|
| Name | Sebacic acid, hexyl hex-4-yn-3-yl 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/c1-4-7-8-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(6-3)16-5-2/h20H,4,6-15,17-19H2,1-3H3 |
| InChIKey | QDIVWZGIVSAZKY-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCC)=O)=O)(C#CC)CC |