| SpectraBase Compound ID | 29o9z6Sklyh |
|---|---|
| InChI | InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| InChIKey | LNGWRTKJZCBXGT-UHFFFAOYSA-N |
| Mol Weight | 172.01 g/mol |
| Molecular Formula | C7H3Cl2N |
| Exact Mass | 170.964255 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8XInrUo4i2e |
|---|---|
| Name | 2,5-Dichlorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.964254501 u |
| Formula | C7H3Cl2N |
| InChI | InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| InChIKey | LNGWRTKJZCBXGT-UHFFFAOYSA-N |
| Molecular Weight | 172.014 g/mol |
| SMILES | C=1C(=C(C=CC1Cl)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.778856 |