| SpectraBase Compound ID | H259xDUvlJE |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-3-11(4-2)14-9-10-7-5-6-8-12(10)13/h5-8,11,14H,3-4,9H2,1-2H3 |
| InChIKey | VOCPFNVGFNYEKY-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 | KlgOn3F3WDm |
|---|---|
| Name | N-(Pent-3-yl)-2-chlorobenzylamine |
| 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/c1-3-11(4-2)14-9-10-7-5-6-8-12(10)13/h5-8,11,14H,3-4,9H2,1-2H3 |
| InChIKey | VOCPFNVGFNYEKY-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C=1(C(=CC=CC1)Cl)CNC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909959 |