| SpectraBase Compound ID | 2BjOX4EMFyO |
|---|---|
| InChI | InChI=1S/C22H21I2N/c1-17-5-2-6-18(11-17)14-25(15-19-7-3-9-21(23)12-19)16-20-8-4-10-22(24)13-20/h2-13H,14-16H2,1H3 |
| InChIKey | KOERIJNJLUEAFI-UHFFFAOYSA-N |
| Mol Weight | 553.23 g/mol |
| Molecular Formula | C22H21I2N |
| Exact Mass | 552.97634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jid8MJwmN6r |
|---|---|
| Name | N,N-bis(3-Iodobenzyl)-N-(3-methylbenzyl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.976339680 u |
| Formula | C22H21I2N |
| InChI | InChI=1S/C22H21I2N/c1-17-5-2-6-18(11-17)14-25(15-19-7-3-9-21(23)12-19)16-20-8-4-10-22(24)13-20/h2-13H,14-16H2,1H3 |
| InChIKey | KOERIJNJLUEAFI-UHFFFAOYSA-N |
| Molecular Weight | 553.226 g/mol |
| SMILES | C(N(CC=1C=C(C=CC1)I)CC1=CC(=CC=C1)I)C=1C=C(C=CC1)C |