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1-(3,4-Dimethylphenyl)-(3-trifluoromethylbenzyl)piperazine

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

1-(3,4-Dimethylphenyl)-(3-trifluoromethylbenzyl)piperazine
SpectraBase Compound ID GeaYnnW3bje
InChI InChI=1S/C20H23F3N2/c1-15-6-7-19(12-16(15)2)25-10-8-24(9-11-25)14-17-4-3-5-18(13-17)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKey IQTSFRVGVXCNRK-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C20H23F3N2
Exact Mass 348.181333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfzF0RFGORx
Name 1-(3,4-Dimethylphenyl)-(3-trifluoromethylbenzyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 348.181333238 u
Formula C20H23F3N2
InChI InChI=1S/C20H23F3N2/c1-15-6-7-19(12-16(15)2)25-10-8-24(9-11-25)14-17-4-3-5-18(13-17)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKey IQTSFRVGVXCNRK-UHFFFAOYSA-N
Molecular Weight 348.413 g/mol
SMILES C1(C(F)(F)F)=CC(CN2CCN(C3=CC(=C(C=C3)C)C)CC2)=CC=C1