| SpectraBase Compound ID | 92WD4wqynlN |
|---|---|
| InChI | InChI=1S/C13H20ClN/c1-2-3-4-9-15-10-8-12-6-5-7-13(14)11-12/h5-7,11,15H,2-4,8-10H2,1H3 |
| InChIKey | IEQUSYBKVMGHKE-UHFFFAOYSA-N |
| Mol Weight | 225.76 g/mol |
| Molecular Formula | C13H20ClN |
| Exact Mass | 225.128427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6tIWVSe6KJ7 |
|---|---|
| Name | N-Pentyl-3-chlorophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.128427348 u |
| Formula | C13H20ClN |
| InChI | InChI=1S/C13H20ClN/c1-2-3-4-9-15-10-8-12-6-5-7-13(14)11-12/h5-7,11,15H,2-4,8-10H2,1H3 |
| InChIKey | IEQUSYBKVMGHKE-UHFFFAOYSA-N |
| Molecular Weight | 225.763 g/mol |
| SMILES | C=1(C=C(C=CC1)Cl)CCNCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968711 |