| SpectraBase Compound ID | BYmFY6A1EDY |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-7(2)5-4-6-8(9)10-3/h4-6H,1-3H3/b6-4+ |
| InChIKey | KVAJOLKSQLKPHT-GQCTYLIASA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62lX58CIiY5 |
|---|---|
| Name | (2E)-5-Methylhexa-2,4-dienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-7(2)5-4-6-8(9)10-3/h4-6H,1-3H3/b6-4+ |
| InChIKey | KVAJOLKSQLKPHT-GQCTYLIASA-N |
| SMILES | C(\C=C\C=C(C)C)(=O)OC |