| SpectraBase Compound ID | JhlQOWZN1mP |
|---|---|
| InChI | InChI=1S/C22H21I2N/c23-21-10-4-8-19(14-21)16-25(13-12-18-6-2-1-3-7-18)17-20-9-5-11-22(24)15-20/h1-11,14-15H,12-13,16-17H2 |
| InChIKey | JASWMXGYEVJEDY-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 | IOOcpfUICIj |
|---|---|
| Name | N,N-bis(3-Iodobenzyl)benzeneethanamine |
| 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/c23-21-10-4-8-19(14-21)16-25(13-12-18-6-2-1-3-7-18)17-20-9-5-11-22(24)15-20/h1-11,14-15H,12-13,16-17H2 |
| InChIKey | JASWMXGYEVJEDY-UHFFFAOYSA-N |
| Molecular Weight | 553.226 g/mol |
| SMILES | C(N(CC=1C=C(C=CC1)I)CCC=1C=CC=CC1)C=1C=C(C=CC1)I |