| SpectraBase Compound ID | 9yeAbmDdmYj |
|---|---|
| InChI | InChI=1S/C12H16IN/c1-10(2)8-9-14(3)12-7-5-4-6-11(12)13/h4-8H,9H2,1-3H3 |
| InChIKey | GRBFNGWWSCKCAL-UHFFFAOYSA-N |
| Mol Weight | 301.17 g/mol |
| Molecular Formula | C12H16IN |
| Exact Mass | 301.032745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L57VgtAyKkF |
|---|---|
| Name | N-Methyl-N-prenyl-2-iodoaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.032744519 u |
| Formula | C12H16IN |
| InChI | InChI=1S/C12H16IN/c1-10(2)8-9-14(3)12-7-5-4-6-11(12)13/h4-8H,9H2,1-3H3 |
| InChIKey | GRBFNGWWSCKCAL-UHFFFAOYSA-N |
| Molecular Weight | 301.171 g/mol |
| SMILES | C=1(N(CC=C(C)C)C)C(=CC=CC1)I |