![1-piperazinamine, 4-[(4-chlorophenyl)methyl]-N-[(E)-2-furanylmethylidene]-](/api/spectrum/1UnZScO7cP7/structure.png?h=300&w=458 "1-piperazinamine, 4-[(4-chlorophenyl)methyl]-N-[(E)-2-furanylmethylidene]-")
| SpectraBase Compound ID | DNCj1PXRXr8 |
|---|---|
| InChI | InChI=1S/C16H18ClN3O/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/b18-12+ |
| InChIKey | RXWGSSPLWHKDPQ-LDADJPATSA-N |
| Mol Weight | 303.79 g/mol |
| Molecular Formula | C16H18ClN3O |
| Exact Mass | 303.11384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UnZScO7cP7 |
|---|---|
| Name | 1-Piperazinamine, 4-[(4-chlorophenyl)methyl]-N-[(E)-2-furanylmethylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.113839911 u |
| Formula | C16H18ClN3O |
| InChI | InChI=1S/C16H18ClN3O/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/b18-12+ |
| InChIKey | RXWGSSPLWHKDPQ-LDADJPATSA-N |
| SMILES | C=1C=C(Cl)C=CC1CN1CCN(\N=C\C=2OC=CC2)CC1 |