Ethyl vinyl ketone(1629-58-9) ¹³C NMR

Product NameEthyl vinyl ketone

CAS 1629-58-9

Molecular FormulaC5H8O

Molecular Weight84.12

InChIInChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

InChIKey JLIDVCMBCGBIEY-UHFFFAOYSA-N

SmilesC=CC(=O)CC

Request For Quotation

Mass

MS-IW-6353          
1-penten-3-one
C5H8O               (Mass of molecular ion:     84)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       4.1
      27.0      28.0
      28.0       3.4
      29.0      16.3
      39.0       2.2
      41.0       1.9
      42.0       1.0
      43.0       1.4
      53.0       1.2
      55.0     100.0
      56.0       8.0
      57.0       9.9
      83.0       3.4
      84.0      21.1
      85.0       1.6
     111.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈ O	0.06 ml : 0.5 ml CDCl₃
1-penten-3-one

    Assign.     Shift(ppm)

      A             6.34
      B             6.23
      C             5.813
      D             2.616
      E             1.112
     
     J(A,C)=8.7HZ. J(B,C)=-3.3HZ. J(A,B)=17.5HZ.

     Hz     ppm     Int.

    587.75   6.563     53
    579.13   6.467     34
    570.25   6.368    338
    563.06   6.287    361
    561.56   6.271    536
    559.75   6.251    494
    545.56   6.092     88
    541.88   6.051     30
    525.88   5.872    336
    522.56   5.835    255
    517.19   5.775    223
    513.88   5.738    215
    246.13   2.749    117
    245.63   2.743    121
    238.44   2.663    461
    231.13   2.581    520
    224.25   2.504    161
    223.81   2.499    165
    106.44   1.189    514
    104.25   1.165     40
     99.38   1.110   1000
     97.00   1.084     70
     93.50   1.044     78
     91.88   1.026    425

in CDCl3