3393-64-4

4-羟基-3-甲基-2-丁酮(3393-64-4)核磁图(¹³CNMR)

产品名称:4-羟基-3-甲基-2-丁酮

CAS:3393-64-4

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3

InChIKey: VVSRECWZBBJOTG-UHFFFAOYSA-N

Smiles:CC(=O)C(C)CO

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5480          
4-hydroxy-3-methyl-2-butanone
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       8.5
      18.0       2.2
      26.0       2.1
      27.0       8.3
      28.0       2.7
      29.0       9.0
      30.0       3.7
      31.0      26.9
      38.0       1.1
      39.0       6.8
      40.0       2.6
      41.0      23.3
      42.0      43.6
      43.0     100.0
      44.0       3.0
      45.0       2.8
      53.0       1.0
      55.0       2.9
      56.0       1.3
      57.0      12.2
      58.0       1.2
      59.0       5.4
      61.0      42.7
      62.0       1.2
      69.0       6.8
      71.0       4.0
      72.0       7.4
      73.0       2.7
      84.0       9.1
      85.0       2.3
      87.0       2.0
     102.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
4-hydroxy-3-methyl-2-butanone

    Assign.     Shift(ppm)

      A     *1      3.75
      B     *1      3.68
      C             2.69
      D             2.7
      E             2.206
      F             1.134
     
     J(E,C)=0.25HZ. J(A,B)=-11.1HZ. J(A,C)=6.8HZ. J(B,C)=4.9HZ.
     J(C,F)=7.3HZ.

     Hz     ppm     Int.

    336.06   3.753    143
    333.25   3.721    166
    329.25   3.677    183
    328.31   3.666    212
    322.19   3.598     22
    255.75   2.856     25
    250.75   2.800     22
    248.50   2.775     36
    243.56   2.720     73
    241.31   2.695     89
    236.69   2.643     34
    197.69   2.208   1000
    197.31   2.204    920
    105.00   1.173    541
     97.75   1.092    469

in CDCl3