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N-(4-chloro-2,5-dimethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

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N-(4-chloro-2,5-dimethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SpectraBase Compound ID F0ZurT6tQf5
InChI InChI=1S/C12H9ClF7NO3/c1-23-7-4-6(8(24-2)3-5(7)13)21-9(22)10(14,15)11(16,17)12(18,19)20/h3-4H,1-2H3,(H,21,22)
InChIKey YCQGBMYSZCYZMI-UHFFFAOYSA-N
Mol Weight 383.65 g/mol
Molecular Formula C12H9ClF7NO3
Exact Mass 383.015918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxLFujFhLO2
Name N-(4-Chloro-2,5-dimethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Comments Computed using HOSE algorithm
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Exact Mass 383.015917992 u
Formula C12H9ClF7NO3
InChI InChI=1S/C12H9ClF7NO3/c1-23-7-4-6(8(24-2)3-5(7)13)21-9(22)10(14,15)11(16,17)12(18,19)20/h3-4H,1-2H3,(H,21,22)
InChIKey YCQGBMYSZCYZMI-UHFFFAOYSA-N
Molecular Weight 383.650 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C1=CC(OC)=C(C=C1OC)Cl