| SpectraBase Compound ID | JDBpqeHlQTd |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-4-6-9-15-11(13)7-8-12(14)16-10(3)5-2/h2,7-8,10H,4,6,9H2,1,3H3/b8-7+ |
| InChIKey | ARZOBMGQYKMRIW-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 | 7BHa29unjWO |
|---|---|
| Name | Fumaric acid, butyl but-3-yn-2-yl 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/c1-4-6-9-15-11(13)7-8-12(14)16-10(3)5-2/h2,7-8,10H,4,6,9H2,1,3H3/b8-7+ |
| InChIKey | ARZOBMGQYKMRIW-BQYQJAHWSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | CCCCOC(\C=C\C(OC(C#C)C)=O)=O |