| SpectraBase Compound ID | BXrrvKHqCwu |
|---|---|
| InChI | InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2 |
| InChIKey | PNROREDTZJCOHF-UHFFFAOYSA-N |
| Mol Weight | 202.04 g/mol |
| Molecular Formula | C8H5Cl2NO |
| Exact Mass | 200.974819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51luROqPpeT |
|---|---|
| Name | 3,5-Dichlorophenoxyacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.974819184 u |
| Formula | C8H5Cl2NO |
| InChI | InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2 |
| InChIKey | PNROREDTZJCOHF-UHFFFAOYSA-N |
| SMILES | C=1C(=CC(=CC1Cl)Cl)OCC#N |