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1-(3,5-Dimethoxybenzoyl)-4-(2,3-dimethylphenyl)piperazine
SpectraBase Compound ID 1CnfEJ8bbXS
InChI InChI=1S/C21H26N2O3/c1-15-6-5-7-20(16(15)2)22-8-10-23(11-9-22)21(24)17-12-18(25-3)14-19(13-17)26-4/h5-7,12-14H,8-11H2,1-4H3
InChIKey VBSZKMJESVPETB-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4mwlHaIceH
Name 1-(3,5-Dimethoxybenzoyl)-4-(2,3-dimethylphenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 354.194342702 u
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-15-6-5-7-20(16(15)2)22-8-10-23(11-9-22)21(24)17-12-18(25-3)14-19(13-17)26-4/h5-7,12-14H,8-11H2,1-4H3
InChIKey VBSZKMJESVPETB-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES C(C1=CC(OC)=CC(=C1)OC)(N1CCN(CC1)C1=C(C(C)=CC=C1)C)=O