| SpectraBase Compound ID | IITB6UaaRib |
|---|---|
| InChI | InChI=1S/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3 |
| InChIKey | MXIGALIASISPNU-UHFFFAOYSA-N |
| Mol Weight | 155.63 g/mol |
| Molecular Formula | C8H10ClN |
| Exact Mass | 155.050177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5dHg50htAX |
|---|---|
| Name | 3-Chloro-4-methylbenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.050177026 u |
| Formula | C8H10ClN |
| InChI | InChI=1S/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3 |
| InChIKey | MXIGALIASISPNU-UHFFFAOYSA-N |
| SMILES | C(N)C1=CC(Cl)=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834813 |