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2,2,3,3,4,4,4-Heptafluoro-1-(4-(4-methoxybenzoyl)piperazin-1-yl)butan-1-one

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2,2,3,3,4,4,4-Heptafluoro-1-(4-(4-methoxybenzoyl)piperazin-1-yl)butan-1-one
SpectraBase Compound ID 21irhBMwyIw
InChI InChI=1S/C16H15F7N2O3/c1-28-11-4-2-10(3-5-11)12(26)24-6-8-25(9-7-24)13(27)14(17,18)15(19,20)16(21,22)23/h2-5H,6-9H2,1H3
InChIKey VPURUADJIABNGL-UHFFFAOYSA-N
Mol Weight 416.3 g/mol
Molecular Formula C16H15F7N2O3
Exact Mass 416.097089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaYwA2jqe39
Name 2,2,3,3,4,4,4-Heptafluoro-1-(4-(4-methoxybenzoyl)piperazin-1-yl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.097089489 u
Formula C16H15F7N2O3
InChI InChI=1S/C16H15F7N2O3/c1-28-11-4-2-10(3-5-11)12(26)24-6-8-25(9-7-24)13(27)14(17,18)15(19,20)16(21,22)23/h2-5H,6-9H2,1H3
InChIKey VPURUADJIABNGL-UHFFFAOYSA-N
Molecular Weight 416.296 g/mol
SMILES C(N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)(=O)C1=CC=C(C=C1)OC