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3-(4-benzylpiperazin-1-yl)-N-(3-bromo-4-methyl-phenyl)propanamide

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

3-(4-benzylpiperazin-1-yl)-N-(3-bromo-4-methyl-phenyl)propanamide
SpectraBase Compound ID Gjx5Z9Ue0bf
InChI InChI=1S/C21H26BrN3O/c1-17-7-8-19(15-20(17)22)23-21(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKey AQHCTANDSZTGJK-UHFFFAOYSA-N
Mol Weight 416.36 g/mol
Molecular Formula C21H26BrN3O
Exact Mass 415.125925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3a4wsulz1A
Name 1-piperazinepropanamide, N-(3-bromo-4-methylphenyl)-4-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.125925468 u
Formula C21H26BrN3O
InChI InChI=1S/C21H26BrN3O/c1-17-7-8-19(15-20(17)22)23-21(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKey AQHCTANDSZTGJK-UHFFFAOYSA-N
Molecular Weight 416.363 g/mol
NMR Offset 17.9887
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16522
Solvent CDCl3
Source Vendor ID: NMR/11240494; Lab Info: JMR; Lab Number: JMR-0000036