| SpectraBase Spectrum ID |
H7lfAg86V72 |
| Name |
2-Pyridinemethanamine, N-[(4-fluorophenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.106276590 u |
| Formula |
C13H13FN2 |
| InChI |
InChI=1S/C13H13FN2/c14-12-6-4-11(5-7-12)9-15-10-13-3-1-2-8-16-13/h1-8,15H,9-10H2 |
| InChIKey |
KLPCSGOZPBAIQJ-UHFFFAOYSA-N |
| Molecular Weight |
216.259 g/mol |
| SMILES |
C=1C=CN=C(CNCC2=CC=C(C=C2)F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921968 |