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(4-Benzylpiperazin-1-yl)-[4-(dimethylaminomethyl)phenyl]methanone

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

(4-Benzylpiperazin-1-yl)-[4-(dimethylaminomethyl)phenyl]methanone
SpectraBase Compound ID 6hRAMN01PBJ
InChI InChI=1S/C21H27N3O/c1-22(2)16-19-8-10-20(11-9-19)21(25)24-14-12-23(13-15-24)17-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3
InChIKey UZWOEFGDFHOFIA-UHFFFAOYSA-N
Mol Weight 337.47 g/mol
Molecular Formula C21H27N3O
Exact Mass 337.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EiYLzYPZxX
Name (4-Benzylpiperazin-1-yl)-[4-(dimethylaminomethyl)phenyl]methanone
Comments Computed using HOSE algorithm
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Exact Mass 337.215412500 u
Formula C21H27N3O
InChI InChI=1S/C21H27N3O/c1-22(2)16-19-8-10-20(11-9-19)21(25)24-14-12-23(13-15-24)17-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3
InChIKey UZWOEFGDFHOFIA-UHFFFAOYSA-N
Molecular Weight 337.467 g/mol
SMILES C(N1CCN(CC1)CC=1C=CC=CC1)(C=1C=CC(CN(C)C)=CC1)=O