| SpectraBase Compound ID | ABC0gzkhq1p |
|---|---|
| InChI | InChI=1S/C16H26INO2/c1-4-5-6-7-9-18-10-8-13-11-16(20-3)14(17)12-15(13)19-2/h11-12,18H,4-10H2,1-3H3 |
| InChIKey | FEMQTFQORBJDKQ-UHFFFAOYSA-N |
| Mol Weight | 391.29 g/mol |
| Molecular Formula | C16H26INO2 |
| Exact Mass | 391.100824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVNLDEL8Qdd |
|---|---|
| Name | N-Hexyl-2,5-dimethoxy-4-iodophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.100824079 u |
| Formula | C16H26INO2 |
| InChI | InChI=1S/C16H26INO2/c1-4-5-6-7-9-18-10-8-13-11-16(20-3)14(17)12-15(13)19-2/h11-12,18H,4-10H2,1-3H3 |
| InChIKey | FEMQTFQORBJDKQ-UHFFFAOYSA-N |
| Molecular Weight | 391.293 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)I)OC)CCNCCCCCC |