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1-(2-Fluorobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazine oxalate

View entire compound with spectra: 2 NMR

1-(2-Fluorobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazine oxalate
SpectraBase Compound ID 3b1UI8HV7AF
InChI InChI=1S/C19H20F4N2.C2H2O4/c20-18-8-4-2-6-16(18)14-25-11-9-24(10-12-25)13-15-5-1-3-7-17(15)19(21,22)23;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)
InChIKey UVBNELLYLFOVKC-UHFFFAOYSA-N
Mol Weight 442.41 g/mol
Molecular Formula C21H22F4N2O4
Exact Mass 442.15157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRqAq5uTYZt
Name 1-(2-Fluorobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.151569844 u
Formula C21H22F4N2O4
InChI InChI=1S/C19H20F4N2.C2H2O4/c20-18-8-4-2-6-16(18)14-25-11-9-24(10-12-25)13-15-5-1-3-7-17(15)19(21,22)23;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)
InChIKey UVBNELLYLFOVKC-UHFFFAOYSA-N
Molecular Weight 442.411 g/mol
SMILES OC(C(O)=O)=O.C(C=1C(CN2CCN(CC=3C(F)=CC=CC3)CC2)=CC=CC1)(F)(F)F