| SpectraBase Compound ID | 6ONnmPO9fOG |
|---|---|
| InChI | InChI=1S/C9H9Cl3O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3 |
| InChIKey | GSBNJVFDTWURQP-UHFFFAOYSA-N |
| Mol Weight | 239.53 g/mol |
| Molecular Formula | C9H9Cl3O |
| Exact Mass | 237.971898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HeKbyvQvGV |
|---|---|
| Name | 2,4,5-Trichlorophenol, N-propyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.971898009 u |
| Formula | C9H9Cl3O |
| InChI | InChI=1S/C9H9Cl3O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3 |
| InChIKey | GSBNJVFDTWURQP-UHFFFAOYSA-N |
| Molecular Weight | 239.529 g/mol |
| SMILES | C1(=CC(=C(C=C1OCCC)Cl)Cl)Cl |