| SpectraBase Compound ID | 1lpG4Ja1VYC |
|---|---|
| InChI | InChI=1S/C12H16INO2/c1-8(14-9(2)15)6-10-4-5-12(16-3)11(13)7-10/h4-5,7-8H,6H2,1-3H3,(H,14,15) |
| InChIKey | LOFRXSSYGWRAPQ-UHFFFAOYSA-N |
| Mol Weight | 333.17 g/mol |
| Molecular Formula | C12H16INO2 |
| Exact Mass | 333.022574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9D4kM6Hnj06 |
|---|---|
| Name | 4-Methoxy-3-iodoamphetamine ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.022573757 u |
| Formula | C12H16INO2 |
| InChI | InChI=1S/C12H16INO2/c1-8(14-9(2)15)6-10-4-5-12(16-3)11(13)7-10/h4-5,7-8H,6H2,1-3H3,(H,14,15) |
| InChIKey | LOFRXSSYGWRAPQ-UHFFFAOYSA-N |
| Molecular Weight | 333.169 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)I)CC(NC(=O)C)C |