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1-Benzyl-4-(2-furylmethyl)piperazinediium oxalate

View entire compound with spectra: 2 NMR

1-Benzyl-4-(2-furylmethyl)piperazinediium oxalate
SpectraBase Compound ID LSBwZ4aP0OI
InChI InChI=1S/C16H20N2O.C2H2O4/c1-2-5-15(6-3-1)13-17-8-10-18(11-9-17)14-16-7-4-12-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey NOZJUEKIGJILGJ-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eCu5M6jgva
Name 1-Benzyl-4-(2-furylmethyl)piperazinediium oxalate
Comments Computed using HOSE algorithm
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Exact Mass 346.152871811 u
Formula C18H22N2O5
InChI InChI=1S/C16H20N2O.C2H2O4/c1-2-5-15(6-3-1)13-17-8-10-18(11-9-17)14-16-7-4-12-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey NOZJUEKIGJILGJ-UHFFFAOYSA-N
Molecular Weight 346.383 g/mol
SMILES C([O-])(=O)C([O-])=O.C1=CC=C(C[NH+]2CC[NH+](CC=3OC=CC3)CC2)C=C1