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9-CHLOROPHENANTHRENE(947-72-8) 1H NMR
Product Name9-CHLOROPHENANTHRENE
CAS947-72-8
Molecular FormulaC14H9Cl
Molecular Weight212.67
InChIInChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey CJWHZQNUDAJJSB-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C(Cl)=C2)=CC=CC=3)=CC=C1
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Parameter ppm Hz
D(A) 7.79 D(B) 7.505 D(C) 7.555 D(D) 8.535 J(A,B) 7.7 J(A,C) 2.0 J(A,D) 0.5 J(B,C) 7.05 J(B,D) 1.25 J(C,D) 8.75 D(E) 8.58 D(F) 7.68 D(G) 7.69 D(J) 8.285 J(E,F) 8.45 J(E,G) 1.55 J(E,J) 0.5 J(F,G) 7.2 J(F,J) 1.05 J(G,J) 8.95 D(K) 7.65 BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1715 (1967)Spectral Code: 1H NMR : parameter in CS2