| SpectraBase Compound ID | H7yKrX1nhzw |
|---|---|
| InChI | InChI=1S/C14H12FN3/c15-12-3-5-13(6-4-12)18-14(7-8-16)11-2-1-9-17-10-11/h1-6,9-10,14,18H,7H2 |
| InChIKey | JMSYLXSPBFHAAF-UHFFFAOYSA-N |
| Mol Weight | 241.27 g/mol |
| Molecular Formula | C14H12FN3 |
| Exact Mass | 241.101526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FCb2tcamkU |
|---|---|
| Name | 3-(4'-Fluoroanilino)-3-(3'-pyridyl)propionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.101525561 u |
| Formula | C14H12FN3 |
| InChI | InChI=1S/C14H12FN3/c15-12-3-5-13(6-4-12)18-14(7-8-16)11-2-1-9-17-10-11/h1-6,9-10,14,18H,7H2 |
| InChIKey | JMSYLXSPBFHAAF-UHFFFAOYSA-N |
| Molecular Weight | 241.269 g/mol |
| SMILES | C(#N)CC(NC1=CC=C(C=C1)F)C=1C=NC=CC1 |