| SpectraBase Compound ID | 7KtHMpe6G0I |
|---|---|
| InChI | InChI=1S/C14H19IN2/c1-2-6-16-7-9-17(10-8-16)12-13-4-3-5-14(15)11-13/h2-5,11H,1,6-10,12H2 |
| InChIKey | YJCXXXWAZXPLGO-UHFFFAOYSA-N |
| Mol Weight | 342.22 g/mol |
| Molecular Formula | C14H19IN2 |
| Exact Mass | 342.059294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiIcnsrj1VR |
|---|---|
| Name | 1-Allyl-4-(3-iodobenzyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.059293620 u |
| Formula | C14H19IN2 |
| InChI | InChI=1S/C14H19IN2/c1-2-6-16-7-9-17(10-8-16)12-13-4-3-5-14(15)11-13/h2-5,11H,1,6-10,12H2 |
| InChIKey | YJCXXXWAZXPLGO-UHFFFAOYSA-N |
| Molecular Weight | 342.224 g/mol |
| SMILES | C(N1CCN(CC1)CC=C)C=1C=C(C=CC1)I |