121-90-4

间硝基苯甲酰氯(121-90-4)质谱(MS)

产品名称:间硝基苯甲酰氯

CAS:121-90-4

分子式:C7H4ClNO3

分子量: 185.56

InChI:InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H

InChIKey: NXTNASSYJUXJDV-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC=CC([N+]([O-])=O)=C1

Mass

MS-NW-2901          
m-nitrobenzoyl chloride
C7H4ClNO3           (Mass of molecular ion:    185)

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

      30.0       1.6
      37.0       1.7
      38.0       2.3
      49.0       1.0
      50.0      14.3
      51.0       1.7
      63.0       1.5
      64.0       1.7
      73.0       1.1
      74.0       5.6
      75.0      17.0
      76.0      25.3
      77.0       1.9
      92.0       4.2
     103.0       2.5
     104.0      23.6
     105.0       1.8
     111.0       3.1
     113.0       1.0
     122.0       1.3
     134.0       1.2
     139.0       1.0
     150.0     100.0
     151.0       8.2
     152.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₄ Cl N O₃	0.05 ml : 0.5 ml CDCl₃
m-nitrobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.930
      B             8.57
      C             8.50
      D             7.580

     Hz     ppm     Int.

    802.19   8.958    463
    801.75   8.953    460
    800.44   8.938    616
    799.94   8.932   1000
    798.19   8.913    637
    797.69   8.907    578
    795.50   8.883     36
    774.31   8.646    402
    773.13   8.633    486
    772.06   8.621    369
    770.88   8.608    415
    769.00   8.587     36
    768.31   8.579     34
    766.19   8.556    456
    765.13   8.544    912
    764.00   8.531    879
    763.44   8.525    618
    762.75   8.517    667
    762.25   8.512    538
    759.81   8.484     40
    757.25   8.456    688
    756.13   8.443    557
    755.50   8.436    703
    754.31   8.423    470
    710.25   7.931    693
    709.81   7.926    668
    702.19   7.841    876
    701.81   7.837    833
    694.25   7.752    430
    693.75   7.747    422

in CDCl3