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

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2,2,3,3,4,4,4-Heptafluoro-1-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)butan-1-one
SpectraBase Compound ID EJI8baOsqG9
InChI InChI=1S/C16H14F10N2O/c17-13(18,15(22,23)16(24,25)26)12(29)28-7-5-27(6-8-28)9-10-1-3-11(4-2-10)14(19,20)21/h1-4H,5-9H2
InChIKey IESOZNYCNMBHPH-UHFFFAOYSA-N
Mol Weight 440.29 g/mol
Molecular Formula C16H14F10N2O
Exact Mass 440.094645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nj1sBuYsra
Name 2,2,3,3,4,4,4-Heptafluoro-1-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.094644708 u
Formula C16H14F10N2O
InChI InChI=1S/C16H14F10N2O/c17-13(18,15(22,23)16(24,25)26)12(29)28-7-5-27(6-8-28)9-10-1-3-11(4-2-10)14(19,20)21/h1-4H,5-9H2
InChIKey IESOZNYCNMBHPH-UHFFFAOYSA-N
Molecular Weight 440.285 g/mol
SMILES C1=C(C=CC(=C1)CN1CCN(CC1)C(C(F)(F)C(F)(F)C(F)(F)F)=O)C(F)(F)F