| SpectraBase Compound ID | fI6sj457su |
|---|---|
| InChI | InChI=1S/C18H30INO2/c1-5-7-10-20(11-8-6-2)12-9-15-13-18(22-4)16(19)14-17(15)21-3/h13-14H,5-12H2,1-4H3 |
| InChIKey | AORQWYNBNVFIOR-UHFFFAOYSA-N |
| Mol Weight | 419.35 g/mol |
| Molecular Formula | C18H30INO2 |
| Exact Mass | 419.132124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IflM2tUtDG8 |
|---|---|
| Name | N,N-Dibutyl-2,5-dimethoxy-4-iodophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.132124208 u |
| Formula | C18H30INO2 |
| InChI | InChI=1S/C18H30INO2/c1-5-7-10-20(11-8-6-2)12-9-15-13-18(22-4)16(19)14-17(15)21-3/h13-14H,5-12H2,1-4H3 |
| InChIKey | AORQWYNBNVFIOR-UHFFFAOYSA-N |
| Molecular Weight | 419.347 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)I)OC)CCN(CCCC)CCCC |