| SpectraBase Compound ID | HK080phkYLd |
|---|---|
| InChI | InChI=1S/C8H8N2.Cl/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2; |
| InChIKey | WOMIAGFQUGFZAF-UHFFFAOYSA-N |
| Mol Weight | 167.62 g/mol |
| Molecular Formula | C8H8ClN2 |
| Exact Mass | 167.037601 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LHTJzDqX29Z |
|---|---|
| Name | 4-(Aminomethyl)benzonitrile hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.037600966 u |
| Formula | C8H8ClN2 |
| InChI | InChI=1S/C8H8N2.Cl/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2; |
| InChIKey | WOMIAGFQUGFZAF-UHFFFAOYSA-N |
| Molecular Weight | 167.619 g/mol |
| Nominal Mass | 167 u |
| SMILES | C(N)C1=CC=C(C#N)C=C1.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.900437 |