| SpectraBase Compound ID | Ljtg3EU3Ryw |
|---|---|
| InChI | InChI=1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2 |
| InChIKey | YUGDKEWUYZXXRU-UHFFFAOYSA-N |
| Mol Weight | 167.59 g/mol |
| Molecular Formula | C8H6ClNO |
| Exact Mass | 167.013792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iPlVE0eqe2 |
|---|---|
| Name | 4-Chlorophenoxyacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.013791516 u |
| Formula | C8H6ClNO |
| InChI | InChI=1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2 |
| InChIKey | YUGDKEWUYZXXRU-UHFFFAOYSA-N |
| Molecular Weight | 167.595 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)OCC#N |