| SpectraBase Compound ID | 6czGpQ7NWBT |
|---|---|
| InChI | InChI=1S/C15H19Cl3O2/c1-2-3-4-5-6-7-8-15(19)20-14-10-12(17)11(16)9-13(14)18/h9-10H,2-8H2,1H3 |
| InChIKey | CRUCWHJNZNUXBY-UHFFFAOYSA-N |
| Mol Weight | 337.67 g/mol |
| Molecular Formula | C15H19Cl3O2 |
| Exact Mass | 336.045063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JspP1hhDwgy |
|---|---|
| Name | Nonanoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.045062950 u |
| Formula | C15H19Cl3O2 |
| InChI | InChI=1S/C15H19Cl3O2/c1-2-3-4-5-6-7-8-15(19)20-14-10-12(17)11(16)9-13(14)18/h9-10H,2-8H2,1H3 |
| InChIKey | CRUCWHJNZNUXBY-UHFFFAOYSA-N |
| Molecular Weight | 337.674 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(CCCCCCCC)=O)Cl |