| SpectraBase Compound ID | 8t668xRL06d |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5- |
| InChIKey | CZDIAFWZQBFKHZ-ALCCZGGFSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOhX0XY3CLW |
|---|---|
| Name | Methyl (Z)-7-oxooct-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5- |
| InChIKey | CZDIAFWZQBFKHZ-ALCCZGGFSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(\C=C/CCCC(=O)C)(=O)OC |