| SpectraBase Compound ID | MLIFjI14qf |
|---|---|
| InChI | InChI=1S/C13H15ClF3N3/c14-10-3-5-11(6-4-10)18-19-12(13(15,16)17)9-20-7-1-2-8-20/h3-6,18H,1-2,7-9H2/b19-12- |
| InChIKey | VQHGABOZBXNKJC-UNOMPAQXSA-N |
| Mol Weight | 305.73 g/mol |
| Molecular Formula | C13H15ClF3N3 |
| Exact Mass | 305.09066 g/mol |
| SpectraBase Spectrum ID | KXkIfjZKuYj |
|---|---|
| Name | N-[2-(4-Chlorophenylhydrazono)-3,3,3-trifluoropropyl]pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.090659684 u |
| Formula | C13H15ClF3N3 |
| InChI | InChI=1S/C13H15ClF3N3/c14-10-3-5-11(6-4-10)18-19-12(13(15,16)17)9-20-7-1-2-8-20/h3-6,18H,1-2,7-9H2/b19-12- |
| InChIKey | VQHGABOZBXNKJC-UNOMPAQXSA-N |
| Molecular Weight | 305.732 g/mol |
| SMILES | C(\C(=N/NC1=CC=C(C=C1)Cl)CN1CCCC1)(F)(F)F |