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1-Benzyl-4-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}piperazine

View entire compound with spectra: 2 NMR

1-Benzyl-4-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}piperazine
SpectraBase Compound ID 52KrPv7yDt7
InChI InChI=1S/C27H30N2O2/c1-21-8-13-26(18-22(21)2)31-20-24-9-11-25(12-10-24)27(30)29-16-14-28(15-17-29)19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3
InChIKey DPIWLHBNBDQDBC-UHFFFAOYSA-N
Mol Weight 414.55 g/mol
Molecular Formula C27H30N2O2
Exact Mass 414.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5enS814xQ3
Name 1-Benzyl-4-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.230728212 u
Formula C27H30N2O2
InChI InChI=1S/C27H30N2O2/c1-21-8-13-26(18-22(21)2)31-20-24-9-11-25(12-10-24)27(30)29-16-14-28(15-17-29)19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3
InChIKey DPIWLHBNBDQDBC-UHFFFAOYSA-N
Molecular Weight 414.549 g/mol
SMILES C(N1CCN(CC1)CC1=CC=CC=C1)(C=1C=CC(=CC1)COC1=CC(C)=C(C=C1)C)=O