| SpectraBase Compound ID | BgYvPdbNkHr |
|---|---|
| InChI | InChI=1S/C9H13ClO3/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4H,3,5-7H2,1H3/b4-2- |
| InChIKey | BDBGTXXQVCEDMA-RQOWECAXSA-N |
| Mol Weight | 204.65 g/mol |
| Molecular Formula | C9H13ClO3 |
| Exact Mass | 204.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wCmP0DLsoP |
|---|---|
| Name | 6-Octenoic acid, 8-chloro-3-oxo-, methyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.055321976 u |
| Formula | C9H13ClO3 |
| InChI | InChI=1S/C9H13ClO3/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4H,3,5-7H2,1H3/b4-2- |
| InChIKey | BDBGTXXQVCEDMA-RQOWECAXSA-N |
| Molecular Weight | 204.653 g/mol |
| SMILES | C(C(=O)OC)C(=O)CC\C=C/CCl |