455-24-3

4-三氟甲基苯甲酸(455-24-3)Raman光谱

产品名称:4-三氟甲基苯甲酸

CAS:455-24-3

分子式:C8H5F3O2

分子量: 190.12

InChI:InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N

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

Mass

MS-NW-7153          
p-(trifluoromethyl)benzoic acid
C8H5F3O2            (Mass of molecular ion:    190)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       1.6
      31.0       1.0
      37.0       1.4
      38.0       1.8
      39.0       1.8
      45.0       3.3
      49.0       1.0
      50.0       9.0
      51.0       4.4
      57.0       2.1
      62.0       1.4
      63.0       2.9
      69.0       3.5
      73.0       1.2
      74.0       5.2
      75.0      10.7
      76.0       3.1
      77.0       2.4
      81.0       1.0
      94.0       1.3
      95.0      11.2
      96.0       4.3
      99.0       2.0
     112.0       1.0
     113.0       1.0
     119.0       1.4
     125.0       6.5
     126.0       3.8
     127.0       3.1
     143.0       3.7
     144.0       2.9
     145.0      68.8
     146.0       6.0
     161.0       1.2
     162.0       2.4
     171.0      11.6
     172.0       2.3
     173.0     100.0
     174.0       9.2
     190.0      67.8
     191.0       6.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₅ F₃ O₂	0.039 g : 0.5 ml DMSO-d₆
p-(trifluoromethyl)benzoic acid

    Assign.     Shift(ppm)

      A             8.173
      B             7.886

     Hz     ppm     Int.

   3276.85   8.200     37
   3270.86   8.185    832
   3262.96   8.165    946
   3155.69   7.897   1000
   3147.57   7.876    884

in DMSO-d6

KBr disc

nujol mull

更多供应商

青岛和兴精细化学有限公司黄金产品

山东钒泰精化生物科技有限公司黄金产品

江苏科洛明新材料科技有限公司黄金产品