936-59-4

3-氯代苯丙酮(936-59-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氯代苯丙酮

CAS:936-59-4

分子式:C9H9ClO

分子量: 168.62

InChI:InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: KTJRGPZVSKWRTJ-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)(=O)CCCl

Mass

MS-NW-7294          
3-chloropropiophenone
C9H9ClO             (Mass of molecular ion:    168)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.6
      50.0       4.0
      51.0      11.4
      55.0       1.6
      63.0       1.5
      74.0       1.5
      75.0       1.1
      76.0       1.8
      77.0      38.9
      78.0       3.2
     105.0     100.0
     106.0       7.7
     132.0       1.9
     133.0       4.8
     168.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ Cl O	saturated in CDCl₃
3-chloropropiophenone

    Assign.     Shift(ppm)

      A             7.95
      B             7.57
      C             7.48
      D             3.92
      E             3.46

     Hz     ppm     Int.

    720.63   8.047     66
    720.31   8.043     68
    717.69   8.014    365
    716.06   7.996    416
    714.50   7.978    235
    713.63   7.969    206
    712.25   7.953    211
    710.13   7.930    454
    708.00   7.906    556
    704.69   7.869     57
    704.38   7.865     55
    703.69   7.858     54
    703.38   7.854     56
    701.88   7.837     44
    700.63   7.824     43
    687.13   7.673     69
    682.06   7.616    166
    680.94   7.604    217
    677.31   7.563    393
    675.38   7.542   1000
    673.31   7.518    425
    668.06   7.460    443
    662.38   7.396    143
    361.19   4.033     48
    359.13   4.010    255
    357.94   3.997    261
    356.06   3.976     67
    351.25   3.922    800
    348.44   3.891     72
    347.88   3.885     81
    345.44   3.858    524
    344.75   3.850    494
    342.31   3.823     44
    319.38   3.567     46
    316.13   3.530    507
    315.44   3.523    486
    313.69   3.503     80
    313.13   3.497     77
    312.75   3.493     81
    309.63   3.458    771
    306.00   3.417     65
    304.94   3.405     59
    302.94   3.383    251
    301.81   3.370    226

in CDCl3