| SpectraBase Compound ID | 1PNIDQq5UbW |
|---|---|
| InChI | InChI=1S/C13H20IN/c1-2-3-4-5-9-15-11-12-7-6-8-13(14)10-12/h6-8,10,15H,2-5,9,11H2,1H3 |
| InChIKey | ASKVQZJWJSITTD-UHFFFAOYSA-N |
| Mol Weight | 317.21 g/mol |
| Molecular Formula | C13H20IN |
| Exact Mass | 317.064045 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7u6seDNc69O |
|---|---|
| Name | N-Hexyl-(3-iodobenzyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.064044648 u |
| Formula | C13H20IN |
| InChI | InChI=1S/C13H20IN/c1-2-3-4-5-9-15-11-12-7-6-8-13(14)10-12/h6-8,10,15H,2-5,9,11H2,1H3 |
| InChIKey | ASKVQZJWJSITTD-UHFFFAOYSA-N |
| Molecular Weight | 317.214 g/mol |
| SMILES | C=1(CNCCCCCC)C=C(C=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82523 |