| SpectraBase Compound ID | 9w1VJKHx06B |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h8-9,11H,5-6,10H2,1-3H3/b9-8+ |
| InChIKey | KBCSSNDWVYDSFF-CMDGGOBGSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FQcNv5rRVy |
|---|---|
| Name | Fumaric acid, hex-4-yn-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h8-9,11H,5-6,10H2,1-3H3/b9-8+ |
| InChIKey | KBCSSNDWVYDSFF-CMDGGOBGSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C(\C=C\C(OC(CC)C#CC)=O)(OCCC)=O |