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

View entire compound with spectra: 2 NMR

1-(2-Furylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine oxalate
SpectraBase Compound ID 4JixkZnUy9Z
InChI InChI=1S/C17H19F3N2O.C2H2O4/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-9-22(10-8-21)13-15-5-3-11-23-15;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)
InChIKey LYZHBGLKTLXIGG-UHFFFAOYSA-N
Mol Weight 414.38 g/mol
Molecular Formula C19H21F3N2O5
Exact Mass 414.140256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtidxMOHcBS
Name 1-(2-Furylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.140256268 u
Formula C19H21F3N2O5
InChI InChI=1S/C17H19F3N2O.C2H2O4/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-9-22(10-8-21)13-15-5-3-11-23-15;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)
InChIKey LYZHBGLKTLXIGG-UHFFFAOYSA-N
Molecular Weight 414.381 g/mol
SMILES OC(C(O)=O)=O.C(C=1C(CN2CCN(CC2)CC=2OC=CC2)=CC=CC1)(F)(F)F