| SpectraBase Compound ID | 1ma2HJv02yz |
|---|---|
| InChI | InChI=1S/C12H18IN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3 |
| InChIKey | LXRYPGPBBXIPQH-UHFFFAOYSA-N |
| Mol Weight | 303.19 g/mol |
| Molecular Formula | C12H18IN |
| Exact Mass | 303.048395 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HpS4oPyHYy |
|---|---|
| Name | N-Pentyl-(3-iodobenzyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.048394584 u |
| Formula | C12H18IN |
| InChI | InChI=1S/C12H18IN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3 |
| InChIKey | LXRYPGPBBXIPQH-UHFFFAOYSA-N |
| Molecular Weight | 303.187 g/mol |
| SMILES | C=1(CNCCCCC)C=C(C=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829455 |