| SpectraBase Compound ID | LkW7ymvTPEM |
|---|---|
| InChI | InChI=1S/C21H19I2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3 |
| InChIKey | INPGKGKAHCSKKN-UHFFFAOYSA-N |
| Mol Weight | 539.2 g/mol |
| Molecular Formula | C21H19I2N |
| Exact Mass | 538.96069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F1d6uh6K80H |
|---|---|
| Name | N,N-bis(3-Iodobenzyl)-2-methylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 538.960689616 u |
| Formula | C21H19I2N |
| InChI | InChI=1S/C21H19I2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3 |
| InChIKey | INPGKGKAHCSKKN-UHFFFAOYSA-N |
| Molecular Weight | 539.199 g/mol |
| SMILES | C1(N(CC2=CC(=CC=C2)I)CC=2C=C(C=CC2)I)=C(C=CC=C1)C |