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1-{2-[bis(p-Fluorophenyl)methoxy]ethyl}-4-(2,5-dimethoxycinnamoyl)piperazine maleate(1:2)
SpectraBase Compound ID KunajfynNq6
InChI InChI=1S/C30H34F2N2O3.2C4H4O4/c1-35-28-13-14-29(36-2)25(22-28)4-3-15-33-16-18-34(19-17-33)20-21-37-30(23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24;2*5-3(6)1-2-4(7)8/h3-14,22,30H,15-21H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey SHSAIQQDJHZFKU-SPIKMXEPSA-N
Mol Weight 740.75 g/mol
Molecular Formula C38H42F2N2O11
Exact Mass 740.275666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9eVrlTNIWj
Name 1-{2-[bis(p-Fluorophenyl)methoxy]ethyl}-4-(2,5-dimethoxycinnamoyl)piperazine maleate(1:2)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 740.275666495 u
Formula C38H42F2N2O11
InChI InChI=1S/C30H34F2N2O3.2C4H4O4/c1-35-28-13-14-29(36-2)25(22-28)4-3-15-33-16-18-34(19-17-33)20-21-37-30(23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24;2*5-3(6)1-2-4(7)8/h3-14,22,30H,15-21H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey SHSAIQQDJHZFKU-SPIKMXEPSA-N
Molecular Weight 740.754 g/mol
SMILES OC(\C=C/C(O)=O)=O.OC(\C=C/C(O)=O)=O.C1=C(C(=CC(=C1)OC)C=CCN1CCN(CC1)CCOC(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F)OC