SpectraBase Spectrum ID |
1FDdHNyxbul |
Name |
1-(3-Fluoro-4-methoxybenzyl)-4-piperidinylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.148141402 u |
Formula |
C13H19FN2O |
InChI |
InChI=1S/C13H19FN2O/c1-17-13-3-2-10(8-12(13)14)9-16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,9,15H2,1H3 |
InChIKey |
DTKJIYJVOIPGOX-UHFFFAOYSA-N |
Molecular Weight |
238.306 g/mol |
SMILES |
C1(F)=C(C=CC(=C1)CN1CCC(CC1)N)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939556 |