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1-(4-(2-(4-Methoxyphenoxy)acetyl)piperazin-1-yl)-3-methylbutan-1-one oxalate

View entire compound with spectra: 2 NMR

1-(4-(2-(4-Methoxyphenoxy)acetyl)piperazin-1-yl)-3-methylbutan-1-one oxalate
SpectraBase Compound ID HNSc01ucSRk
InChI InChI=1S/C18H26N2O4.C2H2O4/c1-14(2)12-17(21)19-8-10-20(11-9-19)18(22)13-24-16-6-4-15(23-3)5-7-16;3-1(4)2(5)6/h4-7,14H,8-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AHZYSTSFBHXJQP-UHFFFAOYSA-N
Mol Weight 424.45 g/mol
Molecular Formula C20H28N2O8
Exact Mass 424.184566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiEpN6ZeacW
Name 1-(4-(2-(4-Methoxyphenoxy)acetyl)piperazin-1-yl)-3-methylbutan-1-one oxalate
Comments Computed using HOSE algorithm
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Exact Mass 424.184565862 u
Formula C20H28N2O8
InChI InChI=1S/C18H26N2O4.C2H2O4/c1-14(2)12-17(21)19-8-10-20(11-9-19)18(22)13-24-16-6-4-15(23-3)5-7-16;3-1(4)2(5)6/h4-7,14H,8-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AHZYSTSFBHXJQP-UHFFFAOYSA-N
Molecular Weight 424.450 g/mol
SMILES OC(C(O)=O)=O.CC(CC(N1CCN(CC1)C(COC1=CC=C(C=C1)OC)=O)=O)C