| SpectraBase Compound ID | BbdcjloKLtn |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-4-7-8-9-10-11-12-13-14-18-24-20(22)16-17-21(23)25-19(6-3)15-5-2/h16-17,19H,4,6-14,18H2,1-3H3/b17-16+ |
| InChIKey | DCUUQQIKCRINAR-WUKNDPDISA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aKa1YVbHwk |
|---|---|
| Name | Fumaric acid, hex-4-yn-3-yl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.245709571 u |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-4-7-8-9-10-11-12-13-14-18-24-20(22)16-17-21(23)25-19(6-3)15-5-2/h16-17,19H,4,6-14,18H2,1-3H3/b17-16+ |
| InChIKey | DCUUQQIKCRINAR-WUKNDPDISA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | C(\C=C\C(OC(C#CC)CC)=O)(OCCCCCCCCCCC)=O |