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2-(o-Chlorophenyl)oxetane(35509-71-8) 1H NMR
Product Name2-(o-Chlorophenyl)oxetane
CAS35509-71-8
Molecular FormulaC9H9ClO
Molecular Weight168.62
InChIInChI=1S/C9H9ClO/c10-8-4-2-1-3-7(8)9-5-6-11-9/h1-4,9H,5-6H2
InChIKey YKRWCOVMFLQPQJ-UHFFFAOYSA-N
SmilesO1CCC1C1=CC=CC=C1Cl
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Parameter ppm Hz
D(A) 5.90 D(B) 4.40 D(C) 4.21 D(D) 2.69 D(E) 2.11 D(F) 7.85 D(G) 7.10 D(H) 7.02 D(I) 6.81 J(A,B) 0.00 J(A,C) 0.00 J(A,D) 8.11 J(A,E) 6.99 J(A,F) -0.80 J(A,G) 0.56 J(A,H) 0.00 J(A,I) -0.60 J(B,C) -5.69 J(B,D) 8.17 J(B,E) 7.48 J(B,F) 0.0 J(B,G) 0.0 J(B,H) 0.0 J(B,I) 0.0 J(C,D) 6.07 J(C,E) 9.13 J(C,F) 0.0 J(C,G) 0.0 J(C,H) 0.0 J(C,I) 0.0 J(D,E) -11.00 J(D,F) 0.0 J(D,G) 0.0 J(D,H) 0.0 J(D,I) 0.0 J(E,F) 0.0 J(E,G) 0.0 J(E,H) 0.0 J(E,I) 0.0 J(F,G) 7.65 J(F,H) 0.39 J(F,I) 1.66 J(G,H) 1.12 J(G,I) 7.49 J(H,I) 7.98 PIHLAJA,K. ET AL. ORG.MAGN.RESON. 7, 286 (1975)Spectral Code: 1H NMR : parameter in C6D6