| SpectraBase Compound ID | L3VMB5IUeza |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-15-19(7-3)25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(8-4)16-6-2/h19-20H,7-14,17-18H2,1-4H3 |
| InChIKey | QQLNDMMAGCZRSB-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 | 7RVYiMuygI5 |
|---|---|
| Name | Sebacic acid, di(hex-4-yn-3-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/c1-5-15-19(7-3)25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(8-4)16-6-2/h19-20H,7-14,17-18H2,1-4H3 |
| InChIKey | QQLNDMMAGCZRSB-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(OC(CCCCCCCCC(OC(CC)C#CC)=O)=O)(C#CC)CC |