| SpectraBase Compound ID | EhHrCB81zzZ |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-4-8(3)14-10(12)7-6-9(11)13-5-2/h1,6-8H,5H2,2-3H3/b7-6+ |
| InChIKey | ORYNQUFFKZMCKF-VOTSOKGWSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLkq7F1km08 |
|---|---|
| Name | Fumaric acid, but-3-yn-2-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-4-8(3)14-10(12)7-6-9(11)13-5-2/h1,6-8H,5H2,2-3H3/b7-6+ |
| InChIKey | ORYNQUFFKZMCKF-VOTSOKGWSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C#CC(OC(\C=C\C(OCC)=O)=O)C |