| SpectraBase Compound ID | 8x8LUZjSk7u |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+ |
| InChIKey | XRWKLHBLBKWGDG-HWKANZROSA-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 | 7c2AIdpLGPV |
|---|---|
| Name | (E)-6-Methyl-4-heptenoic acid |
| 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/c1-7(2)5-3-4-6-8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+ |
| InChIKey | XRWKLHBLBKWGDG-HWKANZROSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(CC\C=C\C(C)C)(=O)O |