SpectraBase Spectrum ID |
44pbzrKjVsS |
Name |
N-(4-Methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-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/c1-32-24-13-11-22(12-14-24)30(27(31)25-9-5-6-10-26(25)28)23-16-19-29(20-17-23)18-15-21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3 |
InChIKey |
YDDHYHAUEBJSIJ-UHFFFAOYSA-N |
Molecular Weight |
432.539 g/mol |
SMILES |
C(N(C1CCN(CC1)CCC=1C=CC=CC1)C1=CC=C(C=C1)OC)(C=1C(=CC=CC1)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841106 |