| SpectraBase Compound ID | 4KGiVdk6k4P |
|---|---|
| InChI | InChI=1S/C17H27N3O/c1-16(21)18-9-5-6-10-19-11-13-20(14-12-19)15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,18,21) |
| InChIKey | LWKQFGVXKGDQJJ-UHFFFAOYSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C17H27N3O |
| Exact Mass | 289.215413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mySVcH4n1V |
|---|---|
| Name | 4-(4-Benzylpiperazin-1-yl)butan-1-amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.215412500 u |
| Formula | C17H27N3O |
| InChI | InChI=1S/C17H27N3O/c1-16(21)18-9-5-6-10-19-11-13-20(14-12-19)15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,18,21) |
| InChIKey | LWKQFGVXKGDQJJ-UHFFFAOYSA-N |
| SMILES | C(N1CCN(CC1)CCCCNC(C)=O)C1=CC=CC=C1 |