| SpectraBase Compound ID | 9DafqIrWKAp |
|---|---|
| InChI | InChI=1S/C13H17N3/c1-2-4-13-12(3-1)11(9-15-13)10-16-7-5-14-6-8-16/h1-4,9,14-15H,5-8,10H2 |
| InChIKey | ZTNAIHGOFCMOPJ-UHFFFAOYSA-N |
| Mol Weight | 215.3 g/mol |
| Molecular Formula | C13H17N3 |
| Exact Mass | 215.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCzp30bihkG |
|---|---|
| Name | 3-(Piperazin-1-ylmethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.142247559 u |
| Formula | C13H17N3 |
| InChI | InChI=1S/C13H17N3/c1-2-4-13-12(3-1)11(9-15-13)10-16-7-5-14-6-8-16/h1-4,9,14-15H,5-8,10H2 |
| InChIKey | ZTNAIHGOFCMOPJ-UHFFFAOYSA-N |
| Molecular Weight | 215.300 g/mol |
| SMILES | C1=C2C(=CC=C1)NC=C2CN1CCNCC1 |