| SpectraBase Compound ID | 1s1pBEL1zWI |
|---|---|
| InChI | InChI=1S/C22H38INO2/c1-5-7-9-11-14-24(15-12-10-8-6-2)16-13-19-17-22(26-4)20(23)18-21(19)25-3/h17-18H,5-16H2,1-4H3 |
| InChIKey | BPAVSIVYLWQUCP-UHFFFAOYSA-N |
| Mol Weight | 475.5 g/mol |
| Molecular Formula | C22H38INO2 |
| Exact Mass | 475.194724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64YNcska9t5 |
|---|---|
| Name | N,N-Dihexyl-2,5-dimethoxy-4-iodophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.194724466 u |
| Formula | C22H38INO2 |
| InChI | InChI=1S/C22H38INO2/c1-5-7-9-11-14-24(15-12-10-8-6-2)16-13-19-17-22(26-4)20(23)18-21(19)25-3/h17-18H,5-16H2,1-4H3 |
| InChIKey | BPAVSIVYLWQUCP-UHFFFAOYSA-N |
| Molecular Weight | 475.455 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)I)OC)CCN(CCCCCC)CCCCCC |