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

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

1-(3,4-Methylenedioxybenzyl)-4-(3-trifluoromethylbenzyl)piperazine
SpectraBase Compound ID 69EC8iNwtTn
InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)17-3-1-2-15(10-17)12-24-6-8-25(9-7-24)13-16-4-5-18-19(11-16)27-14-26-18/h1-5,10-11H,6-9,12-14H2
InChIKey VMZWCXCYGWLQFH-UHFFFAOYSA-N
Mol Weight 378.4 g/mol
Molecular Formula C20H21F3N2O2
Exact Mass 378.155512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kn9KCThLnpM
Name 1-(3,4-Methylenedioxybenzyl)-4-(3-trifluoromethylbenzyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 378.155512411 u
Formula C20H21F3N2O2
InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)17-3-1-2-15(10-17)12-24-6-8-25(9-7-24)13-16-4-5-18-19(11-16)27-14-26-18/h1-5,10-11H,6-9,12-14H2
InChIKey VMZWCXCYGWLQFH-UHFFFAOYSA-N
Molecular Weight 378.395 g/mol
SMILES C1=2C(=CC=C(C2)CN2CCN(CC=3C=C(C(F)(F)F)C=CC3)CC2)OCO1