| SpectraBase Compound ID | E7tX4btsGEC |
|---|---|
| InChI | InChI=1S/C16H17N3/c1-2-4-16-15(3-1)14(12-19-16)7-10-18-11-13-5-8-17-9-6-13/h1-6,8-9,12,18-19H,7,10-11H2 |
| InChIKey | RHFWDNPLXMRBPV-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C16H17N3 |
| Exact Mass | 251.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BEme1azjWe |
|---|---|
| Name | 1H-Indole-3-ethanamine, N-(4-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.142247559 u |
| Formula | C16H17N3 |
| InChI | InChI=1S/C16H17N3/c1-2-4-16-15(3-1)14(12-19-16)7-10-18-11-13-5-8-17-9-6-13/h1-6,8-9,12,18-19H,7,10-11H2 |
| InChIKey | RHFWDNPLXMRBPV-UHFFFAOYSA-N |
| Molecular Weight | 251.333 g/mol |
| SMILES | C1=CC=C2C(NC=C2CCNCC=2C=CN=CC2)=C1 |