3150-40-1

2,3,5,6-四氟-4-甲基苯甲醇(3150-40-1)质谱(MS)

产品名称:2,3,5,6-四氟-4-甲基苯甲醇

CAS:3150-40-1

分子式:C8H6F4O

分子量: 194.13

InChI:InChI=1S/C8H6F4O/c1-3-4(9)6(11)8(13-2)7(12)5(3)10/h1-2H3

InChIKey: SQYHXODAPWFHAZ-UHFFFAOYSA-N

Smiles:C1(F)=C(C)C(F)=C(F)C(OC)=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9020          
2,3,5,6-tetrafluoro-4-methylanisole
C8H6F4O             (Mass of molecular ion:    194)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.9
      28.0       1.0
      29.0       1.3
      31.0       3.5
      50.0       1.1
      51.0       3.5
      57.0       2.8
      61.0       1.1
      62.0       1.5
      63.0       2.7
      68.0       1.3
      69.0       3.0
      74.0       1.2
      75.0       7.1
      80.0       1.5
      81.0      10.1
      93.0       3.4
      95.0       1.3
      99.0       5.7
     100.0       1.2
     101.0      43.0
     102.0       2.5
     112.0       1.4
     113.0       2.4
     114.0       1.2
     115.0       1.2
     117.0       1.6
     119.0       1.8
     125.0       1.6
     131.0       5.4
     132.0       3.3
     137.0       1.5
     143.0       4.1
     144.0       3.0
     145.0       3.7
     149.0       1.1
     150.0       6.7
     151.0      25.1
     152.0       1.6
     160.0       1.0
     161.0       1.4
     163.0      11.4
     164.0       1.4
     175.0       4.3
     177.0       1.0
     178.0       2.1
     179.0      61.2
     180.0       4.9
     192.0       2.0
     193.0      28.0
     194.0     100.0
     195.0       9.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ F₄ O	0.05 ml : 0.5 ml CDCl₃
2,3,5,6-tetrafluoro-4-methylanisole

    Assign.     Shift(ppm)

      A             4.039
      B             2.207

     Hz     ppm     Int.

   1615.36   4.042    705
   1614.14   4.039   1000
   1612.92   4.036    677
    884.28   2.213    533
    882.20   2.208    825
    880.00   2.202    530
      0.00   0.001    155

in CDCl3