| SpectraBase Compound ID | 8Bc7FE27fQc |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-4-7-9-11-13-17(6-3)23-19(21)15-14-18(20)22-16-12-10-8-5-2/h14-15,17H,4-8,10,12-13,16H2,1-3H3/b15-14+ |
| InChIKey | CSGRPWXNHOMUPC-CCEZHUSRSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DzRkVVgn2K |
|---|---|
| Name | Fumaric acid, hexyl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-4-7-9-11-13-17(6-3)23-19(21)15-14-18(20)22-16-12-10-8-5-2/h14-15,17H,4-8,10,12-13,16H2,1-3H3/b15-14+ |
| InChIKey | CSGRPWXNHOMUPC-CCEZHUSRSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(\C=C\C(OC(CC#CCCC)CC)=O)(OCCCCCC)=O |