| SpectraBase Compound ID | CUJgw39N0hY |
|---|---|
| InChI | InChI=1S/C13H15F3INO3/c1-7(18-12(19)13(14,15)16)4-8-5-9(17)11(21-3)6-10(8)20-2/h5-7H,4H2,1-3H3,(H,18,19) |
| InChIKey | JIPSBHRDSQZLCV-UHFFFAOYSA-N |
| Mol Weight | 417.17 g/mol |
| Molecular Formula | C13H15F3INO3 |
| Exact Mass | 417.004873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoSWmBiTLeB |
|---|---|
| Name | 2,4-Dimethoxy-5-iodoamphetamine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.004872833 u |
| Formula | C13H15F3INO3 |
| InChI | InChI=1S/C13H15F3INO3/c1-7(18-12(19)13(14,15)16)4-8-5-9(17)11(21-3)6-10(8)20-2/h5-7H,4H2,1-3H3,(H,18,19) |
| InChIKey | JIPSBHRDSQZLCV-UHFFFAOYSA-N |
| Molecular Weight | 417.167 g/mol |
| SMILES | C=1(C(=CC(=C(C1)I)OC)OC)CC(NC(C(F)(F)F)=O)C |