![3-[2-(4-Phenyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-indole](/api/spectrum/KAKCuIK7wl2/structure.png?h=300&w=458 "3-[2-(4-Phenyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-indole")
| SpectraBase Compound ID | 1SPK56YoL5F |
|---|---|
| InChI | InChI=1S/C18H16N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)11-10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2 |
| InChIKey | LVMVBXFGHWBWTB-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C18H16N4 |
| Exact Mass | 288.137497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAKCuIK7wl2 |
|---|---|
| Name | 3-[2-(4-Phenyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.137496531 u |
| Formula | C18H16N4 |
| InChI | InChI=1S/C18H16N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)11-10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2 |
| InChIKey | LVMVBXFGHWBWTB-UHFFFAOYSA-N |
| SMILES | C=1NC=2C=CC=CC2C1CCN1N=NC(=C1)C=1C=CC=CC1 |