1,1,1,3,3,3-六氟代-2-苯基-2-丙醇(718-64-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,1,1,3,3,3-六氟代-2-苯基-2-丙醇

CAS:718-64-9

分子式:C9H6F6O

分子量: 244.13

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

InChIKey: IZPIZCAYJQCTNG-UHFFFAOYSA-N

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

Mass

MS-IW-2214          
alpha,alpha-bis(trifluoromethyl)benzyl alcohol
C9H6F6O             (Mass of molecular ion:    244)

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

      27.0       1.1
      38.0       1.3
      39.0       2.3
      50.0       6.2
      51.0      12.6
      52.0       1.9
      52.5       1.2
      62.0       1.0
      63.0       1.5
      69.0      21.8
      74.0       1.9
      75.0       2.3
      76.0       1.9
      77.0      30.6
      78.0       8.2
      95.0       1.0
      96.0       1.1
      97.0       2.4
     105.0     100.0
     106.0       8.0
     107.0       1.4
     125.0       1.1
     127.0      14.7
     128.0       1.1
     139.0       1.3
     145.0       2.0
     175.0      74.9
     176.0       6.7
     177.0       3.8
     205.0       7.3
     244.0      36.7
     245.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₆ F₆ O	0.05 ml : 0.5 ml CDCl₃
alpha,alpha-bis(trifluoromethyl)benzyl alcohol

    Assign.     Shift(ppm)

      A             7.72
      B             7.45
      C             7.43
      D             3.59

     Hz     ppm     Int.

   3091.31   7.736    286
   3090.58   7.734    330
   3089.84   7.732    339
   3089.11   7.730    312
   3086.67   7.724    227
   3085.82   7.722    247
   3084.96   7.720    280
   3084.23   7.718    308
   3083.50   7.716    313
   3082.15   7.713    334
   3081.54   7.711    346
   2986.69   7.474     43
   2984.86   7.469     51
   2980.35   7.458    159
   2978.64   7.454    243
   2978.03   7.452    252
   2975.34   7.445   1000
   2974.00   7.442    829
   2973.02   7.440    690
   2971.07   7.435    358
   2969.73   7.431    334
   2969.24   7.430    319
   2968.02   7.427    507
   2967.53   7.426    514
   2964.72   7.419    136
   2964.11   7.417    122
   2962.89   7.414    188
   2960.57   7.408     71
   2958.74   7.404     99
   1434.08   3.589    572

in CDCl3