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1-(4-(2,6-Dimethylphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

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1-(4-(2,6-Dimethylphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID 1x29HSdH29I
InChI InChI=1S/C16H17F7N2O/c1-10-4-3-5-11(2)12(10)24-6-8-25(9-7-24)13(26)14(17,18)15(19,20)16(21,22)23/h3-5H,6-9H2,1-2H3
InChIKey FJRZQKSKTFYPGX-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 AyrOoizu4ra
Name 1-(4-(2,6-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/c1-10-4-3-5-11(2)12(10)24-6-8-25(9-7-24)13(26)14(17,18)15(19,20)16(21,22)23/h3-5H,6-9H2,1-2H3
InChIKey FJRZQKSKTFYPGX-UHFFFAOYSA-N
Molecular Weight 386.314 g/mol
SMILES C1=CC=C(C(=C1C)N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C