| SpectraBase Compound ID | CqgHCHGX8RN |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-7-9-15(8-2)22-17(20)11-10-16(19)21-13-14(3)12-18(4,5)6/h10-11,14-15H,8,12-13H2,1-6H3/b11-10+ |
| InChIKey | YDESRAGTKNNVKN-ZHACJKMWSA-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 | KC37IRYZ55v |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl 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/c1-7-9-15(8-2)22-17(20)11-10-16(19)21-13-14(3)12-18(4,5)6/h10-11,14-15H,8,12-13H2,1-6H3/b11-10+ |
| InChIKey | YDESRAGTKNNVKN-ZHACJKMWSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(\C=C\C(OC(CC)C#CC)=O)(OCC(CC(C)(C)C)C)=O |