| SpectraBase Compound ID | GZPXjzIGsmE |
|---|---|
| InChI | InChI=1S/C18H9Cl3N2/c19-13-5-1-11(2-6-13)15-9-17(23-18(21)16(15)10-22)12-3-7-14(20)8-4-12/h1-9H |
| InChIKey | KSAPHJUBVYWQOS-UHFFFAOYSA-N |
| Mol Weight | 359.64 g/mol |
| Molecular Formula | C18H9Cl3N2 |
| Exact Mass | 357.983131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWfrXmUnyEK |
|---|---|
| Name | 2-Chloro-4,6-bis(4-chlorophenyl)nicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.983131398 u |
| Formula | C18H9Cl3N2 |
| InChI | InChI=1S/C18H9Cl3N2/c19-13-5-1-11(2-6-13)15-9-17(23-18(21)16(15)10-22)12-3-7-14(20)8-4-12/h1-9H |
| InChIKey | KSAPHJUBVYWQOS-UHFFFAOYSA-N |
| Molecular Weight | 359.643 g/mol |
| SMILES | C1(=C(N=C(C=C1C1=CC=C(C=C1)Cl)C=1C=CC(=CC1)Cl)Cl)C#N |