![1-[4-(4-Amino-2-chlorophenyl)piperazin-1-yl]butan-1-one](/api/spectrum/GUhT5KT9sEt/structure.png?h=300&w=458 "1-[4-(4-Amino-2-chlorophenyl)piperazin-1-yl]butan-1-one")
| SpectraBase Compound ID | AHDe5RpZdjJ |
|---|---|
| InChI | InChI=1S/C14H20ClN3O/c1-2-3-14(19)18-8-6-17(7-9-18)13-5-4-11(16)10-12(13)15/h4-5,10H,2-3,6-9,16H2,1H3 |
| InChIKey | LRGGDWJDMIUHTQ-UHFFFAOYSA-N |
| Mol Weight | 281.79 g/mol |
| Molecular Formula | C14H20ClN3O |
| Exact Mass | 281.12949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUhT5KT9sEt |
|---|---|
| Name | 1-[4-(4-Amino-2-chlorophenyl)piperazin-1-yl]butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.129489975 u |
| Formula | C14H20ClN3O |
| InChI | InChI=1S/C14H20ClN3O/c1-2-3-14(19)18-8-6-17(7-9-18)13-5-4-11(16)10-12(13)15/h4-5,10H,2-3,6-9,16H2,1H3 |
| InChIKey | LRGGDWJDMIUHTQ-UHFFFAOYSA-N |
| Molecular Weight | 281.787 g/mol |
| SMILES | CCCC(N1CCN(CC1)C=1C(=CC(=CC1)N)Cl)=O |