2-Bromo-4,5-hexadien-3-one(20207-58-3) ¹H NMR

Product Name2-Bromo-4,5-hexadien-3-one

CAS 20207-58-3

Molecular FormulaC6H7BrO

Molecular Weight175.02

InChIInChI=1S/C6H7BrO/c1-3-4-6(8)5(2)7/h4-5H,1H2,2H3

InChIKey JRXSIUPYQZLBMK-UHFFFAOYSA-N

SmilesCC(Br)C(=O)C=C=C

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¹HNMR

parameter in CCl4

¹H NMR	300 MHz
C₆ H₇ Br O	in CCl₄
2-bromo-4,5-hexadien-3-one

    Parameter     ppm  Hz

      D(A)         5.34
      D(B)         5.85
       J(A,B)          6.50
     
      D(C)         4.83
      D(D)         1.71
       J(C,D)          6.8
     
     COUFFIGNAL,R. & GAUDEMAR,M. COMPT.REND. 266 C, 224 (1968)

     Hz     ppm     Int.

   1761.65   5.872    153
   1755.15   5.850    294
   1748.66   5.829    182
   1605.19   5.351    679
   1598.70   5.329    624
   1459.22   4.864     82
   1452.46   4.842    246
   1445.65   4.819    250
   1438.88   4.796     86
    516.39   1.721   1000
    509.62   1.699    991

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2-Bromo-4,5-hexadien-3-one(20207-58-3) ¹H NMR