4-METHOXY-3-BUTEN-2-ONE(4652-27-1) ¹³C NMR

Product Name4-METHOXY-3-BUTEN-2-ONE

CAS 4652-27-1

Molecular FormulaC5H8O2

Molecular Weight100.12

InChIInChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

InChIKey VLLHEPHWWIDUSS-UHFFFAOYSA-N

SmilesCC(=O)C=COC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5462          
4-methoxy-3-buten-2-one
C5H8O2              (Mass of molecular ion:    100)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       2.4
      15.0      11.0
      26.0       3.5
      27.0      11.1
      28.0       2.6
      29.0       8.7
      31.0       8.3
      38.0       1.3
      39.0       3.2
      41.0       1.8
      42.0      10.3
      43.0      36.5
      44.0       1.1
      47.0       1.5
      53.0       4.5
      54.0       1.2
      55.0       1.5
      57.0       2.4
      58.0       1.4
      59.0       5.0
      69.0       2.6
      71.0       6.0
      75.0       6.3
      85.0     100.0
      86.0       4.8
     100.0      13.8
     101.0       2.4
     117.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
4-methoxy-3-buten-2-one

    Assign.     Shift(ppm)

      A             7.574
      B             5.590
      C             3.713
      D             2.192
     
     J(A,B)=12.9HZ. J(A,C)=0.4HZ.

     Hz     ppm     Int.

    685.56   7.655     91
    685.19   7.651     92
    672.69   7.512    104
    672.31   7.507    105
    506.75   5.659    132
    493.94   5.516    115
    332.75   3.716    729
    196.38   2.193   1000
    195.31   2.181    151

in CDCl3