SpectraBase Spectrum ID |
9ybOCUDFWzQ |
Name |
Piperazine, 4-acetyl-4-phenyl-1-[4-fluorobenzoylmethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.163457113 u |
Formula |
C21H22FNO2 |
InChI |
InChI=1S/C21H22FNO2/c1-16(24)21(18-5-3-2-4-6-18)11-13-23(14-12-21)15-20(25)17-7-9-19(22)10-8-17/h2-10H,11-15H2,1H3 |
InChIKey |
XAOXDLIHYIXKRQ-UHFFFAOYSA-N |
Molecular Weight |
339.410 g/mol |
SMILES |
C1(=CC=C(C=C1)C(CN1CCC(CC1)(C1=CC=CC=C1)C(=O)C)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829999 |