| SpectraBase Compound ID | 4rsNEwHcJuU |
|---|---|
| InChI | InChI=1S/C11H12IN/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2 |
| InChIKey | PAXSXGYJPKPWJQ-UHFFFAOYSA-N |
| Mol Weight | 285.13 g/mol |
| Molecular Formula | C11H12IN |
| Exact Mass | 285.001444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3i96nqN0ucU |
|---|---|
| Name | 3-(3-Iodopropyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.001444390 u |
| Formula | C11H12IN |
| InChI | InChI=1S/C11H12IN/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2 |
| InChIKey | PAXSXGYJPKPWJQ-UHFFFAOYSA-N |
| Molecular Weight | 285.128 g/mol |
| SMILES | C=1NC=2C=CC=CC2C1CCCI |