| SpectraBase Compound ID | FwfmuVyPDup |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-5-10(4)16-12(14)7-6-11(13)15-8-9(2)3/h1,6-7,9-10H,8H2,2-4H3/b7-6+ |
| InChIKey | DNMUNAWMEYINNV-VOTSOKGWSA-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 | 2OjG3lbNPGH |
|---|---|
| Name | Fumaric acid, but-3-yn-2-yl isobutyl 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/c1-5-10(4)16-12(14)7-6-11(13)15-8-9(2)3/h1,6-7,9-10H,8H2,2-4H3/b7-6+ |
| InChIKey | DNMUNAWMEYINNV-VOTSOKGWSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | CC(C)COC(\C=C\C(OC(C#C)C)=O)=O |