| SpectraBase Compound ID | LddTFp0FphV |
|---|---|
| InChI | InChI=1S/C9H12IN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3 |
| InChIKey | VZPKOWYCGWOYRF-UHFFFAOYSA-N |
| Mol Weight | 261.11 g/mol |
| Molecular Formula | C9H12IN |
| Exact Mass | 261.001444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LRzug9dY84 |
|---|---|
| Name | Phenethylamine, 4-iodo-.alpha.-methyl-, hydrochloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.001444390 u |
| Formula | C9H12IN |
| InChI | InChI=1S/C9H12IN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3 |
| InChIKey | VZPKOWYCGWOYRF-UHFFFAOYSA-N |
| Molecular Weight | 261.106 g/mol |
| SMILES | C(C(C)N)C1=CC=C(C=C1)I |