| SpectraBase Compound ID | VxLOJdqii1 |
|---|---|
| InChI | InChI=1S/C12H16ClN3O/c1-9(17)15-4-6-16(7-5-15)12-3-2-10(14)8-11(12)13/h2-3,8H,4-7,14H2,1H3 |
| InChIKey | CJRBZCHOUBZGSS-UHFFFAOYSA-N |
| Mol Weight | 253.73 g/mol |
| Molecular Formula | C12H16ClN3O |
| Exact Mass | 253.09819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLK8pcdzhfT |
|---|---|
| Name | 4-(4-Acetyl-1-piperazinyl)-3-chlorophenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.098189846 u |
| Formula | C12H16ClN3O |
| InChI | InChI=1S/C12H16ClN3O/c1-9(17)15-4-6-16(7-5-15)12-3-2-10(14)8-11(12)13/h2-3,8H,4-7,14H2,1H3 |
| InChIKey | CJRBZCHOUBZGSS-UHFFFAOYSA-N |
| Molecular Weight | 253.733 g/mol |
| SMILES | C1(Cl)=C(C=CC(=C1)N)N1CCN(CC1)C(=O)C |