346-06-5

2-三氟甲基苯甲醇(346-06-5)质谱(MS)

产品名称:2-三氟甲基苯甲醇

CAS:346-06-5

分子式:C8H7F3O

分子量: 176.14

InChI:InChI=1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2

InChIKey: TWQNSHZTQSLJEE-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1C(F)(F)F

Mass

MS-NW-6386          
2-(trifluoromethyl)benzyl alcohol
C8H7F3O             (Mass of molecular ion:    176)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.7
      20.0       1.6
      26.0       1.0
      27.0       3.6
      28.0       3.7
      29.0       7.2
      30.0       1.6
      31.0      11.6
      37.0       2.1
      38.0       3.8
      39.0       8.1
      49.0       1.4
      50.0      11.4
      51.0      14.7
      52.0       2.4
      53.0       1.4
      57.0       4.9
      61.0       1.8
      62.0       4.3
      63.0       7.7
      64.0       1.4
      68.0       1.0
      69.0       5.1
      70.0       1.1
      74.0       4.4
      75.0      11.0
      76.0       4.0
      77.0      24.9
      78.0       6.9
      79.0      51.0
      80.0       3.4
      81.0       2.5
      83.0       5.1
      86.0       1.1
      87.0       1.8
      88.0       1.5
      89.0       4.2
      90.0       2.7
      95.0       5.5
      96.0       5.8
      99.0       3.3
     100.0       1.4
     101.0       5.8
     105.0       2.7
     107.0      93.8
     108.0      10.0
     109.0      16.6
     110.0       1.4
     114.0       1.1
     119.0       3.4
     125.0       6.9
     126.0       9.7
     127.0     100.0
     128.0      12.4
     137.0      13.9
     138.0       3.3
     139.0       1.3
     140.0       1.4
     145.0      12.7
     146.0       4.8
     147.0      14.7
     148.0       2.2
     155.0      22.9
     156.0       5.0
     157.0       1.4
     158.0       3.7
     159.0       9.0
     160.0       1.1
     173.0       3.4
     175.0      13.5
     176.0      79.3
     177.0       7.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F₃ O	0.05 ml : 0.5 ml CDCl₃
2-(trifluoromethyl)benzyl alcohol

    Assign.     Shift(ppm)

      A             7.632
      B             7.594
      C             7.500
      D             7.334
      E             4.789
      F             3.06
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3063.35   7.666     24
   3062.62   7.664     24
   3062.13   7.663     24
   3054.32   7.643    270
   3046.51   7.623    348
   3039.06   7.605    312
   3031.25   7.585    345
   3004.03   7.517    180
   2996.34   7.498    316
   2988.89   7.479    164
   2937.62   7.351    191
   2929.81   7.331    292
   2922.24   7.312    133
   1929.93   4.830     22
   1914.18   4.790   1000
   1222.53   3.060    171

in CDCl3