| SpectraBase Compound ID | 2HJX6k5Tyqn |
|---|---|
| InChI | InChI=1S/C8H5Cl2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H |
| InChIKey | NMXMVMJWZDVFMH-UHFFFAOYSA-N |
| Mol Weight | 186.04 g/mol |
| Molecular Formula | C8H5Cl2N |
| Exact Mass | 184.979905 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3lxlfc1qnc5 |
|---|---|
| Name | alpha,alpha-Dichloro-p-tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.979904565 u |
| Formula | C8H5Cl2N |
| InChI | InChI=1S/C8H5Cl2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H |
| InChIKey | NMXMVMJWZDVFMH-UHFFFAOYSA-N |
| Molecular Weight | 186.041 g/mol |
| SMILES | C=1C(=CC=C(C1)C(Cl)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.983373 |