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1-(4-(4-Chlorophenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

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1-(4-(4-Chlorophenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID J6VfLxwH39r
InChI InChI=1S/C14H12ClF7N2O/c15-9-1-3-10(4-2-9)23-5-7-24(8-6-23)11(25)12(16,17)13(18,19)14(20,21)22/h1-4H,5-8H2
InChIKey VFEVDOJKKOSXAH-UHFFFAOYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C14H12ClF7N2O
Exact Mass 392.052638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tTV3VrCiB8
Name 1-(4-(4-Chlorophenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.052637854 u
Formula C14H12ClF7N2O
InChI InChI=1S/C14H12ClF7N2O/c15-9-1-3-10(4-2-9)23-5-7-24(8-6-23)11(25)12(16,17)13(18,19)14(20,21)22/h1-4H,5-8H2
InChIKey VFEVDOJKKOSXAH-UHFFFAOYSA-N
Molecular Weight 392.705 g/mol
SMILES C1=C(C=CC(=C1)N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cl