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2-[(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidino)methylene]-1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione

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2-[(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidino)methylene]-1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione
SpectraBase Compound ID HOnviPWCkau
InChI InChI=1S/C17H8F9NO2S/c18-15(19,20)8-4-9(16(21,22)23)6-10(5-8)27-7-11(14(29)17(24,25)26)13(28)12-2-1-3-30-12/h1-7,27H
InChIKey RZVGGYZMZJMOBS-UHFFFAOYSA-N
Mol Weight 461.3 g/mol
Molecular Formula C17H8F9NO2S
Exact Mass 461.013203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dgfGYP12cN
Name 2-[(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidino)methylene]-1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.013203141 u
Formula C17H8F9NO2S
InChI InChI=1S/C17H8F9NO2S/c18-15(19,20)8-4-9(16(21,22)23)6-10(5-8)27-7-11(14(29)17(24,25)26)13(28)12-2-1-3-30-12/h1-7,27H
InChIKey RZVGGYZMZJMOBS-UHFFFAOYSA-N
Molecular Weight 461.302 g/mol
SMILES N(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C=C(C(=O)C(F)(F)F)C(C1=CC=CS1)=O