| SpectraBase Compound ID | HqB9ORB8QNX |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | CVDVXDORDMZHRW-PLNGDYQASA-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 | 2WQsYrDS2wk |
|---|---|
| Name | 4-Heptenoic acid, methyl ester, (Z)- |
| 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/c1-3-4-5-6-7-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | CVDVXDORDMZHRW-PLNGDYQASA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(=O)(OC)CC\C=C/CC |