85-54-1

2-(4-氯-3-硝基苯甲酰)苯甲酸(85-54-1)质谱(MS)

产品名称:2-(4-氯-3-硝基苯甲酰)苯甲酸

CAS:85-54-1

分子式:C14H8ClNO5

分子量: 305.67

InChI:InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)

InChIKey: RITAQDHCJBLSSL-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1

¹HNMR

IR1

IR2

Mass

MS-IW-1238          
o-(4-chloro-3-nitrobenzoyl)benzoic acid
C14H8ClNO5          (Mass of molecular ion:    305)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.3
      28.0       1.5
      30.0       1.0
      39.0       4.6
      50.0       3.2
      51.0       2.7
      63.0       1.7
      65.0      11.8
      74.0       3.7
      75.0       8.5
      76.0       4.1
      77.0       2.9
      93.0      11.2
     104.0       8.3
     105.0       5.9
     109.0       1.2
     110.0       9.7
     111.0       2.1
     112.0       3.2
     121.0      11.2
     122.0       1.0
     126.0       2.0
     138.0      17.5
     139.0       4.5
     140.0       6.0
     141.0       1.1
     149.0     100.0
     150.0      13.7
     151.0       5.2
     152.0       3.2
     154.0       1.1
     168.0       1.0
     180.0       2.1
     181.0       1.8
     184.0      25.9
     185.0       4.5
     186.0      10.5
     187.0       1.9
     213.0       1.2
     214.0      16.7
     215.0       7.9
     216.0       6.3
     217.0       2.5
     226.0      20.1
     227.0       3.0
     230.0       1.2
     242.0       1.1
     244.0      36.1
     245.0       5.6
     246.0      12.0
     247.0       1.8
     260.0       2.3
     261.0       3.2
     262.0       1.1
     275.0       1.0
     288.0       3.3
     289.0       1.2
     290.0       1.2
     305.0      30.6
     306.0       5.8
     307.0      10.7
     308.0       1.8