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1,4-piperazinediacetamide, N~1~-(3-fluorophenyl)-N~4~-(4-methoxyphenyl)-

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1,4-piperazinediacetamide, N~1~-(3-fluorophenyl)-N~4~-(4-methoxyphenyl)-
SpectraBase Compound ID KcSERNWrceA
InChI InChI=1S/C21H25FN4O3/c1-29-19-7-5-17(6-8-19)23-20(27)14-25-9-11-26(12-10-25)15-21(28)24-18-4-2-3-16(22)13-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKey PPQNABMQSAQMCI-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C21H25FN4O3
Exact Mass 400.191069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ItW4QkqNtt
Name 1,4-Piperazinediacetamide, N~1~-(3-fluorophenyl)-N~4~-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.191068841 u
Formula C21H25FN4O3
InChI InChI=1S/C21H25FN4O3/c1-29-19-7-5-17(6-8-19)23-20(27)14-25-9-11-26(12-10-25)15-21(28)24-18-4-2-3-16(22)13-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKey PPQNABMQSAQMCI-UHFFFAOYSA-N
Molecular Weight 400.454 g/mol
SMILES N(C(CN1CCN(CC(NC2=CC=C(C=C2)OC)=O)CC1)=O)C=1C=C(F)C=CC1