455-01-6

3-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL(455-01-6) ¹³C NMR

Product Name3-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL

CAS 455-01-6

Molecular FormulaC9H9F3O

Molecular Weight190.16

InChIInChI=1S/C9H9F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2

InChIKey YDKIPCCKZKQMDT-UHFFFAOYSA-N

SmilesC1(CCO)=CC=CC(C(F)(F)F)=C1

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3-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL(455-01-6) <sup>13</sup>C NMR
Mass

MS-NW-8735          
m-(trifluoromethyl)phenethyl alcohol
C9H9F3O             (Mass of molecular ion:    190)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.0
      29.0       1.7
      31.0      32.0
      38.0       1.1
      39.0       4.9
      43.0       1.3
      44.0       1.9
      50.0       2.5
      51.0       4.3
      57.0       1.9
      59.0       2.3
      62.0       1.8
      63.0       5.3
      64.0       1.3
      65.0       2.4
      69.0       1.5
      74.0       1.1
      75.0       3.7
      77.0       2.6
      83.0       2.9
      88.0       1.1
      89.0       5.3
      90.0       2.7
      91.0      54.3
      92.0       4.3
      95.0       2.1
      96.0       1.3
      99.0       2.0
     101.0       2.0
     102.0       1.0
     103.0       1.7
     107.0       1.5
     109.0      23.1
     110.0       1.8
     113.0       1.7
     114.0       3.4
     119.0       9.6
     120.0       2.5
     121.0       1.6
     127.0       2.7
     133.0       1.8
     138.0       1.4
     139.0       5.7
     140.0      59.4
     141.0       7.7
     145.0       2.2
     151.0       2.8
     158.0       1.4
     159.0      67.3
     160.0     100.0
     161.0       8.6
     169.0       1.1
     170.0       3.2
     171.0       9.1
     172.0       3.3
     173.0       2.0
     190.0      21.3
     191.0       2.1