| SpectraBase Compound ID | DIMg59ZLSBP |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-3-5-6-10-16-12(14)8-7-11(13)15-9-4-2/h2,7-8H,3,5-6,9-10H2,1H3/b8-7+ |
| InChIKey | ULQFINYJTFZGOO-BQYQJAHWSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvyYgmLDAga |
|---|---|
| Name | Fumaric acid, pentyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-3-5-6-10-16-12(14)8-7-11(13)15-9-4-2/h2,7-8H,3,5-6,9-10H2,1H3/b8-7+ |
| InChIKey | ULQFINYJTFZGOO-BQYQJAHWSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(\C=C\C(OCC#C)=O)(OCCCCC)=O |