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N-[4-(Trifluoromethyl)phenylcarbonyl]-N'-[2-(4-methoxyphenyl)ethyl]piperiazine
SpectraBase Compound ID HWBMq2jz0PE
InChI InChI=1S/C21H23F3N2O2/c1-28-19-8-2-16(3-9-19)10-11-25-12-14-26(15-13-25)20(27)17-4-6-18(7-5-17)21(22,23)24/h2-9H,10-15H2,1H3
InChIKey PVTVXNPCIXIYOV-UHFFFAOYSA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H23F3N2O2
Exact Mass 392.171162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zotlJJ2f1a
Name N-[4-(Trifluoromethyl)phenylcarbonyl]-N'-[2-(4-methoxyphenyl)ethyl]piperiazine
Comments Computed using HOSE algorithm
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Exact Mass 392.171162476 u
Formula C21H23F3N2O2
InChI InChI=1S/C21H23F3N2O2/c1-28-19-8-2-16(3-9-19)10-11-25-12-14-26(15-13-25)20(27)17-4-6-18(7-5-17)21(22,23)24/h2-9H,10-15H2,1H3
InChIKey PVTVXNPCIXIYOV-UHFFFAOYSA-N
Molecular Weight 392.422 g/mol
SMILES C(N1CCN(CC1)CCC1=CC=C(C=C1)OC)(C=1C=CC(C(F)(F)F)=CC1)=O