32247-96-4

3,5-双三氟甲基苄基溴(32247-96-4)核磁图(¹HNMR)

产品名称:3,5-双三氟甲基苄基溴

CAS:32247-96-4

分子式:C9H5BrF6

分子量: 307.03

InChI:InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

InChIKey: ATLQGZVLWOURFU-UHFFFAOYSA-N

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

Mass

MS-NW-9778          
1-bromomethyl-3,5-bis(trifluoromethyl)benzene
C9H5BrF6            (Mass of molecular ion:    306)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      63.0       1.2
      69.0       1.1
     104.0       1.9
     107.0       1.1
     127.0       1.3
     137.0       1.2
     138.0       2.8
     139.0       1.1
     157.0       1.5
     158.0       4.6
     176.0       1.0
     177.0      10.0
     187.0       4.7
     207.0       3.6
     208.0       3.5
     226.0       1.2
     227.0     100.0
     228.0       9.9
     287.0       3.6
     289.0       3.5
     306.0       1.0
     308.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₅ Br F₆	0.05 ml : 0.5 ml CDCl₃
1-bromomethyl-3,5-bis(trifluoromethyl)benzene

    Assign.     Shift(ppm)

      A             7.857
      B             7.826
      C             4.539

     Hz     ppm     Int.

   3140.14   7.858    512
   3127.69   7.827    232
   1814.09   4.540   1000

in CDCl3

liquid film

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3,5-双三氟甲基苄基溴(32247-96-4)核磁图(1HNMR)

3,5-双三氟甲基苄基溴(32247-96-4)核磁图(¹HNMR)