| SpectraBase Compound ID | IFfs4e5d0Y1 |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-4-7-8-9-10-11-12-16-22-18(20)14-15-19(21)23-17(6-3)13-5-2/h14-15,17H,4,6-12,16H2,1-3H3/b15-14+ |
| InChIKey | POILTTSXDNWEJE-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 | B2j5SWbjWcg |
|---|---|
| Name | Fumaric acid, hex-4-yn-3-yl nonyl 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/c1-4-7-8-9-10-11-12-16-22-18(20)14-15-19(21)23-17(6-3)13-5-2/h14-15,17H,4,6-12,16H2,1-3H3/b15-14+ |
| InChIKey | POILTTSXDNWEJE-CCEZHUSRSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(\C=C\C(OC(C#CC)CC)=O)(OCCCCCCCCC)=O |