| SpectraBase Compound ID | Gsvl90W4yAc |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-6(2)7(3)5-8(9)10-4/h5-6H,1-4H3/b7-5+ |
| InChIKey | YDASEMNTSWHURH-FNORWQNLSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zEp9B7Akix |
|---|---|
| Name | (E)-3,4-Dimethyl-2-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-6(2)7(3)5-8(9)10-4/h5-6H,1-4H3/b7-5+ |
| InChIKey | YDASEMNTSWHURH-FNORWQNLSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(\C(=C\C(=O)OC)C)(C)C |