| SpectraBase Compound ID | 1UuiHQsAhhq |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)11-10-15(17)19-12-7-9-13(3)4/h10-11,13-14H,6-7,9,12H2,1-4H3/b11-10+ |
| InChIKey | NYOLXGUJVVOWTR-ZHACJKMWSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G9WVXdqHYq6 |
|---|---|
| Name | Fumaric acid, hex-4-yn-3-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)11-10-15(17)19-12-7-9-13(3)4/h10-11,13-14H,6-7,9,12H2,1-4H3/b11-10+ |
| InChIKey | NYOLXGUJVVOWTR-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCCCC(C)C)=O)(OC(C#CC)CC)=O |