3-氯苯甲醛(587-04-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氯苯甲醛

CAS:587-04-2

分子式:C7H5ClO

分子量: 140.57

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

InChIKey: SRWILAKSARHZPR-UHFFFAOYSA-N

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

Mass

MS-NW-3732          
m-chlorobenzaldehyde
C7H5ClO             (Mass of molecular ion:    140)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.9
      28.0       1.7
      29.0       4.9
      37.0       3.9
      37.5       1.1
      38.0       4.5
      39.0       2.1
      49.0       3.0
      50.0      22.6
      51.0      19.3
      52.0       1.5
      61.0       2.4
      62.0       1.6
      63.0       1.5
      73.0       3.5
      74.0      11.6
      75.0      29.4
      76.0      10.5
      77.0      26.6
      78.0       1.8
      84.0       1.6
      85.0       3.9
      86.0       1.3
      87.0       1.3
      91.0       2.9
     111.0      56.0
     112.0      10.4
     113.0      18.4
     114.0       3.3
     139.0     100.0
     140.0      82.2
     141.0      38.7
     142.0      26.5
     143.0       2.4
     155.0      10.3
     156.0       1.1
     157.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Cl O	0.04 ml : 0.5 ml CDCl₃
m-chlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.965
      B             7.82
      C             7.76
      D             7.59
      E             7.48
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    892.38   9.965   1000
    703.64   7.857    142
    702.76   7.847    194
    702.17   7.841    296
    701.51   7.833    339
    700.85   7.826    271
    700.05   7.817    612
    699.39   7.810    342
    698.58   7.801    136
    698.07   7.795    318
    696.39   7.776    124
    693.31   7.742    302
    691.99   7.727    243
    691.33   7.720    412
    689.79   7.702    317
    687.23   7.674     41
    686.28   7.663     70
    684.30   7.641    203
    682.25   7.618    155
    678.30   7.574    503
    676.39   7.553    766
    675.29   7.541    339
    674.93   7.537    416
    674.34   7.530    665
    668.99   7.470     32
    668.55   7.465    168
    668.12   7.461    187
    667.82   7.457    200
    667.38   7.452    237
    666.50   7.442     78
    666.21   7.439     73
    665.41   7.430     31
    660.57   7.376     64
    660.21   7.372     74
    659.91   7.369     79
    659.55   7.365     66

in CDCl3