| SpectraBase Compound ID | ClBgvFg4Tyd |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-2-3-4-11(13)9-10-5-7-12(14)8-6-10/h5-8,11H,2-4,9,14H2,1H3 |
| InChIKey | YKJLPJJWRLFOOD-UHFFFAOYSA-N |
| Mol Weight | 211.74 g/mol |
| Molecular Formula | C12H18ClN |
| Exact Mass | 211.112777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1NZSe8uAmYg |
|---|---|
| Name | 4-(2-Chlorohexyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.112777284 u |
| Formula | C12H18ClN |
| InChI | InChI=1S/C12H18ClN/c1-2-3-4-11(13)9-10-5-7-12(14)8-6-10/h5-8,11H,2-4,9,14H2,1H3 |
| InChIKey | YKJLPJJWRLFOOD-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C=1(N)C=CC(=CC1)CC(CCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869178 |