![2-[2-(1H-indol-3-yl)ethyl]aniline](/api/spectrum/Czr7L3pq2rb/structure.png?h=300&w=458 "2-[2-(1H-indol-3-yl)ethyl]aniline")
| SpectraBase Compound ID | GHQ71HNcoPo |
|---|---|
| InChI | InChI=1S/C16H16N2/c17-15-7-3-1-5-12(15)9-10-13-11-18-16-8-4-2-6-14(13)16/h1-8,11,18H,9-10,17H2 |
| InChIKey | QCMDAQKWVIRWPZ-UHFFFAOYSA-N |
| Mol Weight | 236.32 g/mol |
| Molecular Formula | C16H16N2 |
| Exact Mass | 236.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Czr7L3pq2rb |
|---|---|
| Name | 2-[2-(1H-Indol-3-yl)ethyl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.131348523 u |
| Formula | C16H16N2 |
| InChI | InChI=1S/C16H16N2/c17-15-7-3-1-5-12(15)9-10-13-11-18-16-8-4-2-6-14(13)16/h1-8,11,18H,9-10,17H2 |
| InChIKey | QCMDAQKWVIRWPZ-UHFFFAOYSA-N |
| Molecular Weight | 236.318 g/mol |
| SMILES | C=1NC2=C(C1CCC=1C(N)=CC=CC1)C=CC=C2 |