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

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1-(4-(2,4-Dimethylphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID DYEo3wHPGOB
InChI InChI=1S/C16H17F7N2O/c1-10-3-4-12(11(2)9-10)24-5-7-25(8-6-24)13(26)14(17,18)15(19,20)16(21,22)23/h3-4,9H,5-8H2,1-2H3
InChIKey QWGYWUMHZCMXQV-UHFFFAOYSA-N
Mol Weight 386.31 g/mol
Molecular Formula C16H17F7N2O
Exact Mass 386.12291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4869pZid9I
Name 1-(4-(2,4-Dimethylphenyl)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 386.122910315 u
Formula C16H17F7N2O
InChI InChI=1S/C16H17F7N2O/c1-10-3-4-12(11(2)9-10)24-5-7-25(8-6-24)13(26)14(17,18)15(19,20)16(21,22)23/h3-4,9H,5-8H2,1-2H3
InChIKey QWGYWUMHZCMXQV-UHFFFAOYSA-N
Molecular Weight 386.314 g/mol
SMILES C1=C(C=CC(=C1C)N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C