| SpectraBase Compound ID | 7tGJ3Xa5rit |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-12-9(11)7-8(2)5-4-6-10/h4-7H,3H2,1-2H3/b5-4+,8-7+ |
| InChIKey | WMXCPQZEPYDIFZ-AOSYACOCSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HB4x0Q0df2 |
|---|---|
| Name | Ethyl (2E,4E)-5-formyl-3-methylpenta-2,4-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-3-12-9(11)7-8(2)5-4-6-10/h4-7H,3H2,1-2H3/b5-4+,8-7+ |
| InChIKey | WMXCPQZEPYDIFZ-AOSYACOCSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(\C=C\(\C=C\C=O)C)(=O)OCC |