| SpectraBase Compound ID | BwspHgRNVHJ |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h8-9,12-13H,6,10-11H2,1-4H3/b9-8+ |
| InChIKey | SONHRYHTAHHGHU-CMDGGOBGSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68BYwyabdol |
|---|---|
| Name | Fumaric acid, 3-methylbutyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h8-9,12-13H,6,10-11H2,1-4H3/b9-8+ |
| InChIKey | SONHRYHTAHHGHU-CMDGGOBGSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C(\C=C\C(OC(CC)C#CC)=O)(OCCC(C)C)=O |