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1-[(4-Benzylpiperazin-1-yl)carbonyl]-1,2,3,4-tetrahydroquinoline

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

1-[(4-Benzylpiperazin-1-yl)carbonyl]-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID 6LA0VFfDITz
InChI InChI=1S/C21H25N3O/c25-21(24-12-6-10-19-9-4-5-11-20(19)24)23-15-13-22(14-16-23)17-18-7-2-1-3-8-18/h1-5,7-9,11H,6,10,12-17H2
InChIKey UKLSAORJJZZVDU-UHFFFAOYSA-N
Mol Weight 335.45 g/mol
Molecular Formula C21H25N3O
Exact Mass 335.199762 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lFMC7EVdPi
Name 1-[(4-Benzylpiperazin-1-yl)carbonyl]-1,2,3,4-tetrahydroquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.199762436 u
Formula C21H25N3O
InChI InChI=1S/C21H25N3O/c25-21(24-12-6-10-19-9-4-5-11-20(19)24)23-15-13-22(14-16-23)17-18-7-2-1-3-8-18/h1-5,7-9,11H,6,10,12-17H2
InChIKey UKLSAORJJZZVDU-UHFFFAOYSA-N
Molecular Weight 335.451 g/mol
SMILES C1N(C=2C=CC=CC2CC1)C(=O)N1CCN(CC1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9445