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(4-(2,3,4-Trimethoxybenzyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone oxalate

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(4-(2,3,4-Trimethoxybenzyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone oxalate
SpectraBase Compound ID AncJEuu3wBC
InChI InChI=1S/C24H32N2O7.C2H2O4/c1-28-18-8-7-16(21(31-4)23(18)33-6)15-25-9-11-26(12-10-25)24(27)17-13-19(29-2)22(32-5)20(14-17)30-3;3-1(4)2(5)6/h7-8,13-14H,9-12,15H2,1-6H3;(H,3,4)(H,5,6)
InChIKey SRKFBFRQCHERQW-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C26H34N2O11
Exact Mass 550.21626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CgeJQ2hydM
Name (4-(2,3,4-Trimethoxybenzyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.216259912 u
Formula C26H34N2O11
InChI InChI=1S/C24H32N2O7.C2H2O4/c1-28-18-8-7-16(21(31-4)23(18)33-6)15-25-9-11-26(12-10-25)24(27)17-13-19(29-2)22(32-5)20(14-17)30-3;3-1(4)2(5)6/h7-8,13-14H,9-12,15H2,1-6H3;(H,3,4)(H,5,6)
InChIKey SRKFBFRQCHERQW-UHFFFAOYSA-N
Molecular Weight 550.561 g/mol
SMILES OC(C(O)=O)=O.C(C1=CC(OC)=C(C(=C1)OC)OC)(N1CCN(CC1)CC=1C(=C(OC)C(=CC1)OC)OC)=O