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4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
SpectraBase Compound ID 4LWNgWlC3eH
InChI InChI=1S/C14H8Cl2F3NO/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H,20,21)
InChIKey JHFSWZCYCWBYCT-UHFFFAOYSA-N
Mol Weight 334.13 g/mol
Molecular Formula C14H8Cl2F3NO
Exact Mass 332.993504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLrFsgeL9gx
Name 4-Chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 332.993503770 u
Formula C14H8Cl2F3NO
InChI InChI=1S/C14H8Cl2F3NO/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H,20,21)
InChIKey JHFSWZCYCWBYCT-UHFFFAOYSA-N
Molecular Weight 334.125 g/mol
SMILES N(C(C1=CC=C(C=C1)Cl)=O)C1=CC(C(F)(F)F)=C(C=C1)Cl