SpectraBase Spectrum ID |
I1ux5Dk7qI0 |
Name |
2-(4-Fluorophenyl)-N-(3-pyridinylmethyl)ethanamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.121926654 u |
Formula |
C14H15FN2 |
InChI |
InChI=1S/C14H15FN2/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2 |
InChIKey |
GSKXNNTYCHZKLM-UHFFFAOYSA-N |
Molecular Weight |
230.286 g/mol |
SMILES |
C(CC1=CC=C(C=C1)F)NCC1=CN=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837782 |