32707-89-4

3,5-双三氟甲基苄醇(32707-89-4)Raman光谱

产品名称:3,5-双三氟甲基苄醇

CAS:32707-89-4

分子式:C9H6F6O

分子量: 244.13

InChI:InChI=1S/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2

InChIKey: BJTWPJOGDWRYDD-UHFFFAOYSA-N

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

Mass

MS-IW-8114          
3,5-bis(trifluoromethyl)benzyl alcohol
C9H6F6O             (Mass of molecular ion:    244)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       7.8
      30.0       1.1
      31.0       6.1
      39.0       1.3
      50.0       2.1
      51.0       2.7
      57.0       1.8
      62.0       1.4
      63.0       2.2
      69.0       9.4
      74.0       2.3
      75.0       7.5
      77.0       2.6
      78.0       1.4
      81.0       1.3
      87.0       1.9
      88.0       2.8
      93.0       1.1
      94.0       1.1
      95.0       2.7
      96.0       1.1
      99.0       2.5
     101.0       1.2
     107.0       1.9
     112.0       2.2
     119.0       1.2
     125.0       5.3
     126.0       2.3
     127.0      47.2
     128.0       3.8
     132.0       1.0
     137.0       1.8
     138.0       2.2
     143.0       3.6
     144.0       5.2
     145.0      15.8
     146.0       2.2
     147.0      10.8
     155.0      19.5
     156.0       3.1
     157.0       2.5
     158.0       2.4
     163.0       5.2
     164.0       1.8
     173.0       1.7
     175.0      59.8
     176.0       9.6
     177.0       5.7
     187.0       3.2
     190.0       1.1
     193.0       1.0
     194.0       4.2
     195.0     100.0
     196.0      26.7
     197.0       1.9
     205.0       1.5
     206.0       1.0
     207.0       1.5
     208.0       1.2
     213.0      11.9
     214.0       3.5
     215.0       4.9
     216.0       1.7
     223.0       6.1
     224.0       5.4
     225.0      43.3
     226.0       6.5
     227.0      10.2
     228.0       1.1
     241.0       5.7
     243.0      16.4
     244.0      53.2
     245.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₆ F₆ O	0.039 g : 0.5 ml CDCl₃
3,5-bis(trifluoromethyl)benzyl alcohol

    Assign.     Shift(ppm)

      A             7.827
      B             7.801
      C             4.840
      D             2.21

     Hz     ppm     Int.

   3128.30   7.828    684
   3117.80   7.802    305
   1934.33   4.841   1000
    881.96   2.207     40

in CDCl3

KBr disc

nujol mull

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