Product Name2,1-Benzisoxazole,6-chloro-(8CI,9CI)
CAS14313-60-1
Molecular FormulaC7H4ClNO
Molecular Weight153.57
InChIInChI=1S/C7H4ClNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H
InChIKey WRQUJINZKQUIMR-UHFFFAOYSA-N
SmilesN1=C2C(C=CC(Cl)=C2)=CO1
Parameter ppm Hz
D(A) 9.16 D(B) 7.46 D(C) 6.94 D(D) 7.53 J(A,B) 0.0 J(A,C) 0.0 J(A,D) 1.0 J(B,C) 9.5 J(B,D) 0.8 J(C,D) 1.6 ALTAF-UR-RAHMAN & BOULTON,A.J. TETRAHEDRON,SUPPL. 7, 49 (1966)
2,1-Benzisoxazole,6-chloro-(8CI,9CI)(14313-60-1) 1H NMR Atlas of Related Products
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