| SpectraBase Compound ID | LlXgAF9SIA |
|---|---|
| InChI | InChI=1S/C9H5Cl2NO/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-3,5,13H/b7-5+ |
| InChIKey | RTXZLLOYUZLNBR-FNORWQNLSA-N |
| Mol Weight | 214.05 g/mol |
| Molecular Formula | C9H5Cl2NO |
| Exact Mass | 212.974819 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CjNFRAxQjA8 |
|---|---|
| Name | Benzeneacetonitrile, 3,4-dichloro-alpha-formyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.974819184 u |
| Formula | C9H5Cl2NO |
| InChI | InChI=1S/C9H5Cl2NO/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-3,5,13H/b7-5+ |
| InChIKey | RTXZLLOYUZLNBR-FNORWQNLSA-N |
| SMILES | O\C=C\(C1=CC=C(C(=C1)Cl)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.77127 |