| SpectraBase Compound ID | FDGg0PSXHtx |
|---|---|
| InChI | InChI=1S/C13H19IN2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3 |
| InChIKey | UTDIHRBOSMKSHN-UHFFFAOYSA-N |
| Mol Weight | 330.21 g/mol |
| Molecular Formula | C13H19IN2 |
| Exact Mass | 330.059294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0bioajJSui |
|---|---|
| Name | 1-(3-Iodobenzyl)-4-ethylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.059293620 u |
| Formula | C13H19IN2 |
| InChI | InChI=1S/C13H19IN2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3 |
| InChIKey | UTDIHRBOSMKSHN-UHFFFAOYSA-N |
| Molecular Weight | 330.213 g/mol |
| SMILES | C=1(CN2CCN(CC2)CC)C=C(C=CC1)I |