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6'-[(4-CHLORO-3,5-XYLYL)OXY]-alpha,alpha,alpha,2,2,2-HEXAFLUORO-m-ACETOTOLUIDIDE

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

6'-[(4-CHLORO-3,5-XYLYL)OXY]-alpha,alpha,alpha,2,2,2-HEXAFLUORO-m-ACETOTOLUIDIDE
SpectraBase Compound ID FT1KqXDASl6
InChI InChI=1S/C17H12ClF6NO2/c1-8-5-11(6-9(2)14(8)18)27-13-4-3-10(16(19,20)21)7-12(13)25-15(26)17(22,23)24/h3-7H,1-2H3,(H,25,26)
InChIKey FYMBDKWVESMMNS-UHFFFAOYSA-N
Mol Weight 411.73 g/mol
Molecular Formula C17H12ClF6NO2
Exact Mass 411.046075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cCBZvmSlDY
Name 6'-[(4-chloro-3,5-xylyl)oxy]-alpha,alpha,alpha,2,2,2-hexafluoro-m-acetotoluidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.046075306 u
Formula C17H12ClF6NO2
InChI InChI=1S/C17H12ClF6NO2/c1-8-5-11(6-9(2)14(8)18)27-13-4-3-10(16(19,20)21)7-12(13)25-15(26)17(22,23)24/h3-7H,1-2H3,(H,25,26)
InChIKey FYMBDKWVESMMNS-UHFFFAOYSA-N
Molecular Weight 411.731 g/mol
SMILES N(C=1C=C(C=CC1OC=1C=C(C(=C(C1)C)Cl)C)C(F)(F)F)C(=O)C(F)(F)F