| SpectraBase Compound ID | EA1arpiZrxY |
|---|---|
| InChI | InChI=1S/C12H17IN2/c1-10-8-15(6-5-14-10)9-11-3-2-4-12(13)7-11/h2-4,7,10,14H,5-6,8-9H2,1H3 |
| InChIKey | OVGSJNLTRCNHJC-UHFFFAOYSA-N |
| Mol Weight | 316.19 g/mol |
| Molecular Formula | C12H17IN2 |
| Exact Mass | 316.043644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PNHKTmGPTw |
|---|---|
| Name | 1-(3-Iodobenzyl)-3-methylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.043643555 u |
| Formula | C12H17IN2 |
| InChI | InChI=1S/C12H17IN2/c1-10-8-15(6-5-14-10)9-11-3-2-4-12(13)7-11/h2-4,7,10,14H,5-6,8-9H2,1H3 |
| InChIKey | OVGSJNLTRCNHJC-UHFFFAOYSA-N |
| Molecular Weight | 316.186 g/mol |
| SMILES | C(N1CC(NCC1)C)C=1C=C(C=CC1)I |