| SpectraBase Compound ID | EmUfIY8ACt7 |
|---|---|
| InChI | InChI=1S/C17H9Cl2N3O/c18-14-6-15(19)8-16(7-14)22-17(23)13(10-21)5-11-1-3-12(9-20)4-2-11/h1-8H,(H,22,23) |
| InChIKey | ATRBGWOSFOAWMO-UHFFFAOYSA-N |
| Mol Weight | 342.19 g/mol |
| Molecular Formula | C17H9Cl2N3O |
| Exact Mass | 341.012267 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0QjT9MC0Oc |
|---|---|
| Name | 3',5'-Dichloro-alpha,4-dicyanocinnamanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.012267321 u |
| Formula | C17H9Cl2N3O |
| InChI | InChI=1S/C17H9Cl2N3O/c18-14-6-15(19)8-16(7-14)22-17(23)13(10-21)5-11-1-3-12(9-20)4-2-11/h1-8H,(H,22,23) |
| InChIKey | ATRBGWOSFOAWMO-UHFFFAOYSA-N |
| Molecular Weight | 342.185 g/mol |
| SMILES | N(C(C(=CC1=CC=C(C=C1)C#N)C#N)=O)C=1C=C(C=C(C1)Cl)Cl |