| SpectraBase Compound ID | 97q2YFiZoeB |
|---|---|
| InChI | InChI=1S/C12H6Cl3NO3/c13-9-5-11(15)12(6-10(9)14)19-8-3-1-7(2-4-8)16(17)18/h1-6H |
| InChIKey | AKQJUFWAKHZMIY-UHFFFAOYSA-N |
| Mol Weight | 318.54 g/mol |
| Molecular Formula | C12H6Cl3NO3 |
| Exact Mass | 316.941326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Xs3qypEErJ |
|---|---|
| Name | p-Nitrophenyl 2,4,5-trichlorophenyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.941326154 u |
| Formula | C12H6Cl3NO3 |
| InChI | InChI=1S/C12H6Cl3NO3/c13-9-5-11(15)12(6-10(9)14)19-8-3-1-7(2-4-8)16(17)18/h1-6H |
| InChIKey | AKQJUFWAKHZMIY-UHFFFAOYSA-N |
| Molecular Weight | 318.543 g/mol |
| SMILES | C=1(Cl)C=C(Cl)C(=CC1OC=1C=CC(=CC1)N(=O)=O)Cl |