| SpectraBase Compound ID | Do8k8UGCylC |
|---|---|
| InChI | InChI=1S/C9H12ClN/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | XTXGPBAONFJRNO-UHFFFAOYSA-N |
| Mol Weight | 169.65 g/mol |
| Molecular Formula | C9H12ClN |
| Exact Mass | 169.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4wBKUPvpR4d |
|---|---|
| Name | Benzyl(2-chloroethyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.065827090 u |
| Formula | C9H12ClN |
| InChI | InChI=1S/C9H12ClN/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | XTXGPBAONFJRNO-UHFFFAOYSA-N |
| Molecular Weight | 169.655 g/mol |
| SMILES | C(NCCCl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994282 |