| SpectraBase Compound ID | 4J43vUMeilG |
|---|---|
| InChI | InChI=1S/C11H7Cl2N3O/c12-8-1-2-9(10(13)7-8)11(17)16(5-3-14)6-4-15/h1-2,7H,5-6H2 |
| InChIKey | PCXWGCXUXQOYSH-UHFFFAOYSA-N |
| Mol Weight | 268.1 g/mol |
| Molecular Formula | C11H7Cl2N3O |
| Exact Mass | 266.996617 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxR5ZNe5kA5 |
|---|---|
| Name | N,N-bis(Cyanomethyl)-2,4-dichlorobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.996617256 u |
| Formula | C11H7Cl2N3O |
| InChI | InChI=1S/C11H7Cl2N3O/c12-8-1-2-9(10(13)7-8)11(17)16(5-3-14)6-4-15/h1-2,7H,5-6H2 |
| InChIKey | PCXWGCXUXQOYSH-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1Cl)C(N(CC#N)CC#N)=O)Cl |