99-02-5

3-氯苯乙酮(99-02-5)核磁圖(¹HNMR)

產(chǎn)品名稱:3-氯苯乙酮

CAS:99-02-5

分子式:C8H7ClO

分子量: 154.59

InChI:InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N

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

Mass

MS-NW-6407          
3'-chloroacetophenone
C8H7ClO             (Mass of molecular ion:    154)

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

      15.0       3.9
      18.0       1.1
      37.0       1.6
      38.0       2.7
      39.0       2.0
      42.0       1.2
      43.0      31.5
      49.0       1.2
      50.0      10.7
      51.0       6.0
      55.5       1.1
      61.0       1.6
      62.0       1.3
      63.0       2.3
      69.5       1.7
      73.0       1.8
      74.0       5.3
      75.0      19.9
      76.0       5.8
      77.0       3.2
      85.0       2.7
      89.0       1.7
     111.0      48.7
     112.0       4.9
     113.0      15.8
     114.0       1.5
     139.0     100.0
     140.0       8.2
     141.0      33.0
     142.0       2.7
     154.0      34.7
     155.0       3.4
     156.0      11.3
     157.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Cl O	0.04 ml : 0.5 ml CDCl₃
3'-chloroacetophenone

    Assign.     Shift(ppm)

      A             7.91
      B             7.82
      C             7.50
      D             7.39
      E             2.589

     Hz     ppm     Int.

    711.00   7.939     34
    710.19   7.930     41
    709.31   7.920     79
    708.69   7.914     66
    708.31   7.909     50
    707.25   7.897     73
    706.69   7.891     61
    705.88   7.882     46
    704.19   7.863     63
    698.81   7.803     46
    697.06   7.784     65
    695.44   7.766     43
    679.06   7.583     31
    672.88   7.514     77
    671.06   7.493    111
    669.00   7.470    117
    668.13   7.461     80
    661.88   7.391     62
    661.25   7.384     60
    231.88   2.590   1000

in CDCl3