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1-Acetyl-4-(2-methylphenyl)piperazine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Acetyl-4-(2-methylphenyl)piperazine
SpectraBase Compound ID FAdtFgRJNs2
InChI InChI=1S/C13H18N2O/c1-11-5-3-4-6-13(11)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
InChIKey JBTQRFMTDYRGLH-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 64qLJb31VS7
Name 1-Acetyl-4-(2-methylphenyl)piperazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.141913207 u
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-11-5-3-4-6-13(11)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
InChIKey JBTQRFMTDYRGLH-UHFFFAOYSA-N
Molecular Weight 218.300 g/mol
SMILES C=1(N2CCN(CC2)C(=O)C)C(=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896699