Product Name3-Acetyl-9-bromophenanthrene

CAS

Molecular FormulaC16H11BrO

Molecular Weight299.16194

InChIInChI=1S/C16H11BrO/c1-10(18)11-6-7-12-9-16(17)14-5-3-2-4-13(14)15(12)8-11/h2-9H,1H3

InChIKey PODNEAAXQLNICQ-UHFFFAOYSA-N

SmilesC1C2C(=C3C(=C(Br)C=2)C=CC=C3)C=C(C(C)=O)C=1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         7.75
      D(B)         8.025
      D(C)         9.10
       J(A,B)          8.5
       J(A,C)          0.3
       J(B,C)          1.9
     
      D(D)         8.655
      D(E)         7.695
      D(F)         7.665
      D(G)         8.305
       J(D,E)          8.5
       J(D,F)          1.0
       J(D,G)          0.5
       J(E,F)          7.0
       J(E,G)          1.25
       J(F,G)          8.45
     
      D(J)         8.005
     
      D(K)         2.685
     
     BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967)

Spectral Code: 1H NMR : parameter in CS2

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