| SpectraBase Compound ID | IGwQduS4NKv |
|---|---|
| InChI | InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22) |
| InChIKey | KXDROGADUISDGY-UHFFFAOYSA-N |
| Mol Weight | 319.76 g/mol |
| Molecular Formula | C13H14ClN7O |
| Exact Mass | 319.094836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARbWO6YPIKc |
|---|---|
| Name | Benzamil |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.094835798 u |
| Formula | C13H14ClN7O |
| InChI | InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22) |
| InChIKey | KXDROGADUISDGY-UHFFFAOYSA-N |
| Molecular Weight | 319.756 g/mol |
| SMILES | NC1=C(N=C(C(=N1)N)C(=O)\N=C\(NCC=1C=CC=CC1)N)Cl |