Product Name2-BROMO-5-NITROACETOPHENONE
CAS65130-31-6
Molecular FormulaC8H6BrNO3
Molecular Weight244.04
InChIInChI=1S/C8H6BrNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
InChIKey IDVDALYPPBDQFE-UHFFFAOYSA-N
SmilesC(=O)(C1=CC([N+]([O-])=O)=CC=C1Br)C
Parameter ppm Hz
D(A) 8.311 D(B) 8.143 D(C) 7.831 J(A,B) 2.74 J(A,C) 0.38 J(B,C) 8.27 D(D) 2.686 BATTS,B.D. ET AL. ORG.MAGN.RESON. 9, 210 (1977)
2-BROMO-5-NITROACETOPHENONE(65130-31-6) 1H NMR Atlas of Related Products
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