349-75-7

3-三氟甲基苯甲醇(349-75-7)质谱(MS)

产品名称:3-三氟甲基苯甲醇

CAS:349-75-7

分子式:C8H7F3O

分子量: 176.14

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

InChIKey: BXEHKCUWIODEDE-UHFFFAOYSA-N

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

Mass

MS-IW-3654          
m-(trifluoromethyl)benzyl alcohol
C8H7F3O             (Mass of molecular ion:    176)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.7
      29.0       5.8
      31.0       6.0
      38.0       2.1
      39.0       5.0
      50.0       8.6
      51.0      10.9
      52.0       2.1
      53.0       1.2
      57.0       3.3
      61.0       1.3
      62.0       3.3
      63.0       6.2
      64.0       1.1
      69.0       5.9
      70.0       1.0
      74.0       4.3
      75.0      11.0
      76.0       3.1
      77.0      22.9
      78.0       9.2
      79.0      41.2
      80.0       3.0
      81.0       1.8
      83.0       2.2
      87.0       1.8
      88.0       1.5
      89.0       4.0
      90.0       1.4
      95.0       7.2
      96.0       4.9
      99.0       3.0
     100.0       1.0
     101.0       2.4
     105.0       1.6
     107.0      83.7
     108.0       8.1
     109.0       9.1
     114.0       1.3
     119.0       4.8
     125.0       5.6
     126.0       4.7
     127.0     100.0
     128.0      11.1
     137.0       1.1
     138.0       2.3
     139.0       1.6
     140.0       1.2
     145.0      22.9
     146.0       4.7
     147.0      17.4
     148.0       2.0
     155.0       6.3
     156.0       2.4
     157.0      25.6
     158.0       7.5
     159.0      14.8
     160.0       1.4
     173.0       8.3
     174.0       2.2
     175.0      31.1
     176.0      99.9
     177.0       8.7

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.550
      B             7.494
      C             7.42
      D             7.40
      E             4.601
      F             3.6

     Hz     ppm     Int.

   3017.21   7.550    337
   2999.27   7.505    148
   2991.94   7.487    217
   2971.56   7.436     94
   2963.87   7.417    317
   2960.57   7.408    343
   2953.37   7.390    242
   2945.68   7.371     79
   1838.87   4.602   1000
   1416.75   3.545     36

in CDCl3