4-(三氟甲基)芐醇(349-95-1)Raman光譜

產(chǎn)品名稱:4-(三氟甲基)芐醇

CAS:349-95-1

分子式:C8H7F3O

分子量: 176.14

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

InChIKey: MOOUWXDQAUXZRG-UHFFFAOYSA-N

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

Mass

MS-IW-2198          
4-(trifluoromethyl)benzyl alcohol
C8H7F3O             (Mass of molecular ion:    176)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.0
      28.0       1.1
      29.0       7.5
      31.0       6.2
      38.0       2.0
      39.0       4.8
      50.0       7.7
      51.0      10.6
      52.0       2.1
      53.0       1.3
      57.0       3.0
      61.0       1.0
      62.0       2.8
      63.0       5.6
      64.0       1.0
      69.0       5.9
      74.0       3.5
      75.0       9.5
      76.0       2.6
      77.0      24.8
      78.0       8.3
      79.0      54.1
      80.0       3.8
      81.0       1.6
      83.0       2.1
      87.0       1.3
      88.0       1.3
      89.0       3.7
      90.0       1.4
      95.0       6.6
      96.0       4.4
      99.0       2.3
     101.0       2.0
     105.0       1.6
     107.0     100.0
     108.0       9.2
     109.0       9.8
     114.0       1.3
     119.0       3.7
     125.0       4.9
     126.0       3.8
     127.0      83.9
     128.0       8.8
     129.0       2.2
     138.0       1.7
     139.0       1.3
     140.0       1.5
     145.0      19.9
     146.0       3.8
     147.0      12.6
     148.0       1.4
     155.0       3.2
     156.0       2.3
     157.0      17.9
     158.0       5.3
     159.0      10.4
     160.0       1.2
     173.0       5.2
     174.0       1.0
     175.0      18.1
     176.0      83.7
     177.0       7.4

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.535
      B             7.343
      C             4.604
      D             3.68

     Hz     ppm     Int.

   3015.75   7.546    840
   3007.69   7.526    971
   2939.70   7.356    827
   2939.09   7.355    927
   2931.15   7.335    773
   2930.42   7.333    727
   1840.21   4.605   1000
   1472.41   3.685    309

in CDCl3