104-88-1

對(duì)氯苯甲醛(104-88-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:對(duì)氯苯甲醛

CAS:104-88-1

分子式:C7H5ClO

分子量: 140.57

InChI:InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

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

Mass

MS-NW-1836          
p-chlorobenzaldehyde
C7H5ClO             (Mass of molecular ion:    140)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.8
      27.0       3.7
      28.0       1.0
      29.0       8.1
      36.0       1.8
      37.0       9.9
      37.5       1.8
      38.0      10.8
      39.0       4.2
      48.0       1.0
      49.0       7.4
      50.0      53.5
      51.0      36.5
      52.0       4.5
      53.0       1.6
      60.0       1.7
      61.0       5.2
      62.0       3.7
      63.0       2.9
      72.0       1.4
      73.0       9.1
      74.0      29.8
      75.0      52.2
      76.0      16.6
      77.0      31.8
      78.0       2.1
      84.0       3.3
      85.0       6.9
      86.0       2.2
      87.0       2.4
     104.0       2.0
     110.0       1.2
     111.0      64.9
     112.0      13.9
     113.0      21.4
     114.0       4.1
     139.0     100.0
     140.0      73.2
     141.0      37.2
     142.0      23.4
     143.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Cl O	0.045 g : 0.5 ml CDCl₃
p-chlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.99
      B             7.82
      C             7.52

     Hz     ppm     Int.

    894.69   9.990    565
    894.25   9.985    901
    893.81   9.981    465
    707.81   7.904     86
    705.75   7.881    626
    705.25   7.875    390
    703.75   7.858    272
    699.19   7.807    350
    697.44   7.788    745
    697.00   7.783   1000
    695.13   7.762    214
    679.00   7.582    122
    678.56   7.577    143
    676.69   7.556    877
    674.94   7.537    258
    674.50   7.532    249
    673.88   7.525     60
    670.38   7.486    187
    669.94   7.481    185
    668.88   7.469    299
    668.31   7.463    489
    667.88   7.458    391
    666.31   7.440     78
    665.88   7.436     66

in CDCl3