1,4-Pentadien-3-one(1890-28-4) ¹H NMR

Product Name1,4-Pentadien-3-one

CAS 1890-28-4

Molecular FormulaC5H6O

Molecular Weight82.1

InChIInChI=1S/C5H6O/c1-3-5(6)4-2/h3-4H,1-2H2

InChIKey UCUUFSAXZMGPGH-UHFFFAOYSA-N

SmilesC=CC(=O)C=C

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¹HNMR

parameter neat

¹H NMR	300 MHz
C₅ H₆ O	neat
1,4-pentadien-3-one

    Parameter     ppm  Hz

      D(A)         5.82
      D(B)         6.28
      D(C)         6.67
       J(A,B)          1.40
       J(A,C)         11.02
       J(B,C)         17.94
     
     KOSSANYI,J. BULL.SOC.CHIM.FR. 1965, 704

     Hz     ppm     Int.

   2016.24   6.721    657
   2005.30   6.684    710
   1998.32   6.661    884
   1987.37   6.625    970
   1893.02   6.310    965
   1891.57   6.305   1000
   1875.09   6.250    726
   1873.63   6.245    722
   1752.09   5.840    900
   1750.63   5.835    882
   1741.13   5.804    824
   1739.67   5.799    811

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1,4-Pentadien-3-one(1890-28-4) 1H NMR

1,4-Pentadien-3-one(1890-28-4) ¹H NMR