| SpectraBase Compound ID | 5lI7UiMwsF3 |
|---|---|
| InChI | InChI=1S/C17H11Cl2N3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2 |
| InChIKey | YBEDJPLEDJVSKL-UHFFFAOYSA-N |
| Mol Weight | 328.2 g/mol |
| Molecular Formula | C17H11Cl2N3 |
| Exact Mass | 327.033003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOaUANkOApP |
|---|---|
| Name | 1,3-bis(4-Chlorophenyl)-5-cyanomethylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.033002766 u |
| Formula | C17H11Cl2N3 |
| InChI | InChI=1S/C17H11Cl2N3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2 |
| InChIKey | YBEDJPLEDJVSKL-UHFFFAOYSA-N |
| Molecular Weight | 328.202 g/mol |
| SMILES | C1(=CC(C=2C=CC(=CC2)Cl)=NN1C1=CC=C(C=C1)Cl)CC#N |