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alpha,alpha,2,4,6-pentachlorotoluene(28744-45-8) 1H NMR
Product Namealpha,alpha,2,4,6-pentachlorotoluene
CAS28744-45-8
Molecular FormulaC7H3Cl5
Molecular Weight264.36
InChIInChI=1S/C7H3Cl5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,7H
InChIKey HBTZFDIPZCSOJI-UHFFFAOYSA-N
SmilesC1(Cl)=CC(Cl)=CC(Cl)=C1C(Cl)Cl
parameter in CS2
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1H NMR 300 MHz C7 H3 Cl5 15 mol% in CS2 at 30C alpha,alpha,2,4,6-pentachlorotoluene 
Parameter ppm Hz
D(A) 7.355 D(B) 7.262 D(C) 7.353 J(A,B) 2.15 J(A,C) 0.51 J(B,C) 0.12 GYULAI,H.G. ET AL. CAN.J.CHEM. 48, 3877 (1970)
Hz ppm Int.2207.41 7.358 352 2205.68 7.352 1000 2179.70 7.266 389 2177.42 7.258 334