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Piperazine, 4-acetyl-4-phenyl-1-[4-fluorobenzoylmethyl]-
SpectraBase Compound ID HI59mgLR8Sd
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
Mol Weight 339.41 g/mol
Molecular Formula C21H22FNO2
Exact Mass 339.163457 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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