| SpectraBase Compound ID | 1dxOnFFSE1v |
|---|---|
| InChI | InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3 |
| InChIKey | ADDLNRCAJSUYGS-UHFFFAOYSA-N |
| Mol Weight | 476.15 g/mol |
| Molecular Formula | C17H19BrINO2 |
| Exact Mass | 474.964387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C9DpnmBnMpG |
|---|---|
| Name | N-(2-Bromobenzyl)-2,5-dimethoxy-4-iodophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.964386854 u |
| Formula | C17H19BrINO2 |
| InChI | InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3 |
| InChIKey | ADDLNRCAJSUYGS-UHFFFAOYSA-N |
| Molecular Weight | 476.152 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)I)OC)CCNCC=1C(=CC=CC1)Br |