| SpectraBase Compound ID | JOhWfUWbWFW |
|---|---|
| InChI | InChI=1S/C15H21N3/c1-2-3-8-17-9-11-18(12-10-17)15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | IKWULQLBXWKFLM-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C15H21N3 |
| Exact Mass | 243.173548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hdtMDkqmy3 |
|---|---|
| Name | 4-(4-Butylpiperazin-1-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.173547688 u |
| Formula | C15H21N3 |
| InChI | InChI=1S/C15H21N3/c1-2-3-8-17-9-11-18(12-10-17)15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | IKWULQLBXWKFLM-UHFFFAOYSA-N |
| Molecular Weight | 243.354 g/mol |
| SMILES | C(C=1C=CC(=CC1)N1CCN(CC1)CCCC)#N |