SpectraBase Spectrum ID |
LEqCpjMgblR |
Name |
N-(4-Methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-4-fluorobenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
432.221306343 u |
Formula |
C27H29FN2O2 |
InChI |
InChI=1S/C27H29FN2O2/c1-32-26-13-11-24(12-14-26)30(27(31)22-7-9-23(28)10-8-22)25-16-19-29(20-17-25)18-15-21-5-3-2-4-6-21/h2-14,25H,15-20H2,1H3 |
InChIKey |
LMEXHULHBWXMTD-UHFFFAOYSA-N |
Molecular Weight |
432.539 g/mol |
SMILES |
C=1(N(C(C2=CC=C(C=C2)F)=O)C2CCN(CC2)CCC2=CC=CC=C2)C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885007 |