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3-(2,6-Dichlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)isoxazole

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3-(2,6-Dichlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)isoxazole
SpectraBase Compound ID 7SPHDWOEllL
InChI InChI=1S/C16H7Cl3F3NO/c17-9-6-4-8(5-7-9)15-13(16(20,21)22)14(23-24-15)12-10(18)2-1-3-11(12)19/h1-7H
InChIKey MDTIAXLHWWWSTC-UHFFFAOYSA-N
Mol Weight 392.59 g/mol
Molecular Formula C16H7Cl3F3NO
Exact Mass 390.954531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EfbiFZC10Q
Name 3-(2,6-Dichlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)isoxazole
Comments Computed using HOSE algorithm
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Exact Mass 390.954531437 u
Formula C16H7Cl3F3NO
InChI InChI=1S/C16H7Cl3F3NO/c17-9-6-4-8(5-7-9)15-13(16(20,21)22)14(23-24-15)12-10(18)2-1-3-11(12)19/h1-7H
InChIKey MDTIAXLHWWWSTC-UHFFFAOYSA-N
Molecular Weight 392.592 g/mol
SMILES C1(=NOC(=C1C(F)(F)F)C=1C=CC(=CC1)Cl)C=1C(=CC=CC1Cl)Cl