| SpectraBase Compound ID | 6RNw3XCCaYQ |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4+ |
| InChIKey | LJDLNNZTQJVBNJ-SNAWJCMRSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkXARDFyBNu |
|---|---|
| Name | (2E)-Penta-2,4-dienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4+ |
| InChIKey | LJDLNNZTQJVBNJ-SNAWJCMRSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C(\C=C\C=C)(=O)OC |