| SpectraBase Compound ID | 61DfLmuWR0C |
|---|---|
| InChI | InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | NHWQMJMIYICNBP-UHFFFAOYSA-N |
| Mol Weight | 137.57 g/mol |
| Molecular Formula | C7H4ClN |
| Exact Mass | 137.003227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5GuYEQk786m |
|---|---|
| Name | o-Chlorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.003226833 u |
| Formula | C7H4ClN |
| InChI | InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | NHWQMJMIYICNBP-UHFFFAOYSA-N |
| SMILES | C=1C(=C(C=CC1)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.916901 |