| SpectraBase Compound ID | 8RP3xds6jtZ |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-5-9-12-16(11-7-3)22-18(20)14-13-17(19)21-15(8-4)10-6-2/h13-16H,5,7-9,11-12H2,1-4H3/b14-13+ |
| InChIKey | WVYJMBJGWAYYMG-BUHFOSPRSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43nmkHQ7czV |
|---|---|
| Name | Fumaric acid, 4-octyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-5-9-12-16(11-7-3)22-18(20)14-13-17(19)21-15(8-4)10-6-2/h13-16H,5,7-9,11-12H2,1-4H3/b14-13+ |
| InChIKey | WVYJMBJGWAYYMG-BUHFOSPRSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(\C=C\C(OC(CC)C#CC)=O)(OC(CCCC)CCC)=O |