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2,5-bis(2,2,2-Trifluoroethoxy)-4'-chloro-N,N'-ethylenebisbenzamide

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2,5-bis(2,2,2-Trifluoroethoxy)-4'-chloro-N,N'-ethylenebisbenzamide
SpectraBase Compound ID CwBNt9GX5vh
InChI InChI=1S/C20H17ClF6N2O4/c21-13-3-1-12(2-4-13)17(30)28-7-8-29-18(31)15-9-14(32-10-19(22,23)24)5-6-16(15)33-11-20(25,26)27/h1-6,9H,7-8,10-11H2,(H,28,30)(H,29,31)
InChIKey NFLFKGBCQFYOHL-UHFFFAOYSA-N
Mol Weight 498.81 g/mol
Molecular Formula C20H17ClF6N2O4
Exact Mass 498.078104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXXw8qtTkNt
Name 2,5-bis(2,2,2-Trifluoroethoxy)-4'-chloro-N,N'-ethylenebisbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 498.078103709 u
Formula C20H17ClF6N2O4
InChI InChI=1S/C20H17ClF6N2O4/c21-13-3-1-12(2-4-13)17(30)28-7-8-29-18(31)15-9-14(32-10-19(22,23)24)5-6-16(15)33-11-20(25,26)27/h1-6,9H,7-8,10-11H2,(H,28,30)(H,29,31)
InChIKey NFLFKGBCQFYOHL-UHFFFAOYSA-N
Molecular Weight 498.809 g/mol
SMILES N(CCNC(C=1C=C(OCC(F)(F)F)C=CC1OCC(F)(F)F)=O)C(C1=CC=C(C=C1)Cl)=O