| SpectraBase Compound ID | A7BxHj0zILA |
|---|---|
| InChI | InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2 |
| InChIKey | ZSHNOXOGXHXLAV-UHFFFAOYSA-N |
| Mol Weight | 151.6 g/mol |
| Molecular Formula | C8H6ClN |
| Exact Mass | 151.018877 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1G4dNiCRfmw |
|---|---|
| Name | alpha-Chloro-o-tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.018876897 u |
| Formula | C8H6ClN |
| InChI | InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2 |
| InChIKey | ZSHNOXOGXHXLAV-UHFFFAOYSA-N |
| Molecular Weight | 151.596 g/mol |
| SMILES | C1=C(C(=CC=C1)C#N)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.940528 |