| SpectraBase Compound ID | IusFuqnRI6r |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-7-13(3)20-15(18)9-8-14(17)19-11-12(2)10-16(4,5)6/h1,8-9,12-13H,10-11H2,2-6H3/b9-8+ |
| InChIKey | DWGKLESWGRNXMF-CMDGGOBGSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhbceTtWce8 |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl but-3-yn-2-yl 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/c1-7-13(3)20-15(18)9-8-14(17)19-11-12(2)10-16(4,5)6/h1,8-9,12-13H,10-11H2,2-6H3/b9-8+ |
| InChIKey | DWGKLESWGRNXMF-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OC(C#C)C)=O)(OCC(CC(C)(C)C)C)=O |