98-08-8

三氟甲苯(98-08-8)红外图谱(IR2)

产品名称:三氟甲苯

CAS:98-08-8

分子式:C7H5F3

分子量: 146.11

InChI:InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey: GETTZEONDQJALK-UHFFFAOYSA-N

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

Mass

MS-NW-0161          
benzylidyne trifluoride
C7H5F3              (Mass of molecular ion:    146)

   Source Temperature: 230 °C
   Sample Temperature:  80 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0       2.3
      31.0       2.7
      37.0       2.8
      38.0       4.1
      39.0       4.9
      49.0       2.3
      50.0      18.7
      51.0      25.9
      52.0       2.0
      57.0       2.5
      61.0       1.5
      62.0       1.8
      63.0       2.3
      63.5       2.1
      68.0       1.0
      69.0       7.4
      70.0       2.9
      73.0       2.4
      74.0       8.1
      75.0      10.6
      76.0       3.8
      77.0      19.9
      78.0       1.4
      81.0       1.6
      88.0       1.3
      91.0       1.0
      95.0       4.5
      96.0      48.8
      97.0       3.2
      99.0       3.7
     100.0       1.4
     101.0       2.1
     107.0       2.3
     119.0       1.3
     125.0       6.1
     126.0       5.0
     127.0      57.6
     128.0       4.6
     145.0      36.3
     146.0     100.0
     147.0       7.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ F₃	0.04 ml : 0.5 ml CDCl₃
benzylidyne trifluoride

    Assign.     Shift(ppm)

      A          7.74 to 7.30

     Hz     ppm     Int.

    687.88   7.681    157
    685.88   7.659    199
    683.50   7.632    162
    682.75   7.624    210
    681.31   7.608    345
    680.69   7.601    358
    677.75   7.568    619
    677.13   7.561    557
    676.06   7.549    429
    675.19   7.539    411
    674.75   7.535    426
    672.81   7.513    946
    672.00   7.504   1000
    671.06   7.493    758
    669.88   7.480    830
    667.13   7.449    226
    665.75   7.434    184
    664.75   7.423    244
    664.31   7.418    237
    661.88   7.391     81
    660.44   7.375     56
    659.50   7.364     52
    658.94   7.358     40
    656.06   7.326     37

in CDCl3