| SpectraBase Compound ID | 2SSMJRIFtpS |
|---|---|
| InChI | InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 |
| InChIKey | HFAWNVVQGAOROA-UHFFFAOYSA-N |
| Mol Weight | 476.15 g/mol |
| Molecular Formula | C17H19BrINO2 |
| Exact Mass | 474.964387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7emhkKOkZwt |
|---|---|
| Name | N-(4-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)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 |
| InChIKey | HFAWNVVQGAOROA-UHFFFAOYSA-N |
| Molecular Weight | 476.152 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)I)OC)CCNCC1=CC=C(C=C1)Br |