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4-(4-Benzylpiperazin-1-yl)butan-1-amine, N-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-Benzylpiperazin-1-yl)butan-1-amine, N-acetyl-
SpectraBase Compound ID 4KGiVdk6k4P
InChI InChI=1S/C17H27N3O/c1-16(21)18-9-5-6-10-19-11-13-20(14-12-19)15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,18,21)
InChIKey LWKQFGVXKGDQJJ-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C17H27N3O
Exact Mass 289.215413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gv2RgcIiR7l
Name 4-(4-Benzylpiperazin-1-yl)butan-1-amine, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.215412500 u
Formula C17H27N3O
InChI InChI=1S/C17H27N3O/c1-16(21)18-9-5-6-10-19-11-13-20(14-12-19)15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,18,21)
InChIKey LWKQFGVXKGDQJJ-UHFFFAOYSA-N
SMILES C(N1CCN(CC1)CCCCNC(C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855476