Back ChemicalBook Home>CAS DataBase List>15264-44-5More Spectrum> 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)(15264-44-5) 1H NMR
2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)(15264-44-5) 1H NMR
Product Name2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)
CAS15264-44-5
Molecular FormulaC7H4N2O3
Molecular Weight164.12
InChIInChI=1S/C7H4N2O3/c10-9(11)6-2-1-5-4-12-8-7(5)3-6/h1-4H
InChIKey VXUKBYHFZXHKFY-UHFFFAOYSA-N
SmilesN1=C2C(C=CC([N+]([O-])=O)=C2)=CO1
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Parameter ppm Hz
D(A) 9.87 D(B) 8.05 D(C) 7.77 D(D) 8.16 J(A,B) 0.0 J(A,C) 0.0 J(A,D) 0.9 J(B,C) 9.6 J(B,D) 1.2 J(C,D) 1.4 ALTAF-UR-RAHMAN & BOULTON,A.J. TETRAHEDRON,SUPPL. 7, 49 (1966)Spectral Code: 1H NMR : parameter in acetone