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4-((4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)methyl)aniline, N-acetyl

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4-((4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)methyl)aniline, N-acetyl
SpectraBase Compound ID 1mKcjcyBOKg
InChI InChI=1S/C26H27F2N3O/c1-19(32)29-25-12-2-20(3-13-25)18-30-14-16-31(17-15-30)26(21-4-8-23(27)9-5-21)22-6-10-24(28)11-7-22/h2-13,26H,14-18H2,1H3,(H,29,32)
InChIKey SXXSLMQONKKAHX-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C26H27F2N3O
Exact Mass 435.212219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78AVuHbmHWv
Name 4-((4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)methyl)aniline, N-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.212218826 u
Formula C26H27F2N3O
InChI InChI=1S/C26H27F2N3O/c1-19(32)29-25-12-2-20(3-13-25)18-30-14-16-31(17-15-30)26(21-4-8-23(27)9-5-21)22-6-10-24(28)11-7-22/h2-13,26H,14-18H2,1H3,(H,29,32)
InChIKey SXXSLMQONKKAHX-UHFFFAOYSA-N
Molecular Weight 435.519 g/mol
SMILES C1N(CCN(C1)C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)CC=1C=CC(=CC1)NC(=O)C