| SpectraBase Compound ID | 3PRJaklHurt |
|---|---|
| InChI | InChI=1S/C12H17IN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3 |
| InChIKey | HSNIZBDTYYAXLY-UHFFFAOYSA-N |
| Mol Weight | 316.19 g/mol |
| Molecular Formula | C12H17IN2 |
| Exact Mass | 316.043644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1MuDlMT2ick |
|---|---|
| Name | 1-(2-Iodobenzyl)-4-methylpiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.043643555 u |
| Formula | C12H17IN2 |
| InChI | InChI=1S/C12H17IN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3 |
| InChIKey | HSNIZBDTYYAXLY-UHFFFAOYSA-N |
| Molecular Weight | 316.186 g/mol |
| SMILES | C1N(CCN(C1)C)CC=1C(=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878908 |