2516-95-2

5-氯-2-硝基苯甲酸(2516-95-2)质谱(MS)

产品名称:5-氯-2-硝基苯甲酸

CAS:2516-95-2

分子式:C7H4ClNO4

分子量: 201.56

InChI:InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey: ZKUYSJHXBFFGPU-UHFFFAOYSA-N

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

Mass

MS-NW-0213          
5-chloro-2-nitrobenzoic acid
C7H4ClNO4           (Mass of molecular ion:    201)

   Source Temperature: 180 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       2.8
      28.0       1.5
      30.0      36.5
      37.0       6.6
      38.0       5.9
      39.0       6.9
      44.0       5.1
      45.0       7.5
      46.0       1.9
      49.0       3.9
      50.0      26.1
      51.0      11.5
      52.0       1.5
      53.0       7.3
      60.0       1.3
      61.0       4.4
      62.0       6.6
      63.0      26.8
      64.0       4.9
      66.0       1.2
      72.0       1.7
      73.0      30.7
      74.0      37.6
      75.0      55.3
      76.0      10.2
      77.0       2.0
      78.0       1.0
      79.0       1.4
      84.0       6.1
      85.0       5.2
      86.0       2.4
      87.0       3.8
      89.0       1.1
      90.0       1.4
      91.0       4.7
      92.0       2.7
      93.0       2.2
      97.0       1.2
      98.0       3.2
      99.0      89.4
     100.0       5.9
     101.0      28.7
     102.0       1.8
     107.0       1.8
     108.0       1.4
     109.0       3.3
     110.0      14.4
     111.0      20.7
     112.0       7.3
     113.0       7.3
     114.0       1.0
     115.0      15.2
     117.0       5.0
     125.0       2.9
     126.0       4.7
     127.0      80.2
     128.0       6.9
     129.0      27.9
     130.0       1.8
     138.0       1.2
     140.0       1.3
     143.0      12.7
     144.0       1.1
     145.0       4.4
     153.0       4.5
     155.0      11.0
     156.0       1.2
     157.0      22.1
     158.0       1.6
     159.0       6.3
     171.0      32.9
     172.0       2.8
     173.0      11.0
     174.0       1.0
     184.0       2.6
     185.0       2.8
     187.0       1.1
     201.0     100.0
     202.0       9.0
     203.0      32.9
     204.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₄ Cl N O₄	0.048 g : 0.5 ml CDCl₃
5-chloro-2-nitrobenzoic acid

    Assign.     Shift(ppm)

      A            10.51
      B             7.88
      C             7.84
      D             7.67

     Hz     ppm     Int.

    941.05  10.508    342
    711.62   7.946    320
    711.19   7.941    314
    703.08   7.851   1000
    702.65   7.846    935
    701.28   7.831    865
    698.97   7.805     42
    690.34   7.709    753
    688.04   7.683    515
    681.80   7.613    323
    679.49   7.587    285
    678.04   7.571     39
    677.53   7.566     28

in CDCl3