4-甲基-2-戊酮(108-10-1)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):4-甲基-2-戊酮

CAS:108-10-1

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N

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

Mass

MS2014-05101CW      
4-methyl-2-pentanone
C6H12O              (Mass of molecular ion:    100)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      14.0       1.2
      15.0       3.0
      27.0       7.3
      28.0      28.8
      29.0       9.0
      32.0       7.7
      38.0       1.3
      39.0      12.6
      40.0       2.7
      41.0      23.7
      42.0       4.5
      43.0     100.0
      44.0       2.5
      45.0       1.0
      51.0       1.0
      53.0       1.1
      55.0       1.9
      56.0       1.6
      57.0      33.8
      58.0      50.9
      59.0       3.4
      67.0       3.0
      69.0       1.0
      72.0       1.1
      85.0      32.3
      86.0       1.9
     100.0      34.6
     101.0       2.5

in DMSO-d6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
4-methyl-2-pentanone

    Assign.     Shift(ppm)

      A             2.312
      B             2.133
      C             2.123
      D             0.926

     Hz     ppm     Int.

    926.51   2.319    303
    919.56   2.301    357
    872.07   2.183     23
    865.48   2.166     60
    858.76   2.149    111
    855.83   2.142     34
    854.98   2.140     41
    852.05   2.132    181
    851.56   2.131    172
    848.63   2.124    826
    845.34   2.116    115
    842.16   2.108     23
    841.67   2.107     21
    838.26   2.098     50
    379.52   0.950     41
    372.68   0.933   1000
    365.84   0.916    959
    359.62   0.900     30
    358.52   0.898     23
    358.03   0.896     21

in DMSO-d6

in CDCl3