對(duì)氟苯乙腈(459-22-3)Raman光譜

產(chǎn)品名稱:對(duì)氟苯乙腈

CAS:459-22-3

分子式:C8H6FN

分子量: 135.14

InChI:InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N

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

Mass

MS-NW-5675          
p-fluorophenylacetonitrile
C8H6FN              (Mass of molecular ion:    135)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      28.0       1.8
      31.0       2.5
      37.0       1.7
      38.0       1.8
      39.0       3.5
      50.0       5.1
      51.0       3.4
      56.0       1.5
      57.0       8.5
      57.5       1.0
      61.0       2.3
      62.0       3.4
      63.0       4.4
      64.0       1.5
      67.5       2.4
      68.0       1.5
      69.0       2.2
      70.0       1.2
      74.0       2.2
      75.0       5.7
      76.0       1.6
      81.0       4.5
      82.0       2.2
      83.0       5.2
      87.0       1.5
      88.0       2.2
      89.0       2.2
      94.0       1.1
      95.0       3.2
      96.0       1.0
     105.0       1.0
     106.0       1.4
     107.0      25.1
     108.0      42.8
     109.0      11.1
     114.0       1.1
     115.0      11.5
     116.0       2.0
     132.0       1.2
     134.0      48.8
     135.0     100.0
     136.0       8.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ F N	0.04 ml : 0.5 ml CDCl₃
p-fluorophenylacetonitrile

    Assign.     Shift(ppm)

      A             7.28
      B             7.07
      C             3.712
     
     J(A,F-19)=5.3HZ, J(B,F-19)=8.6HZ

     Hz     ppm     Int.

    661.81   7.390     92
    661.13   7.382    206
    660.44   7.375    159
    659.38   7.363     71
    658.69   7.355     96
    658.06   7.348     60
    656.56   7.331    111
    655.88   7.324    233
    655.25   7.317    220
    654.56   7.309    164
    652.13   7.282    412
    650.25   7.261    170
    649.38   7.251    150
    646.88   7.223    398
    644.88   7.201     71
    644.25   7.194     85
    643.63   7.187     54
    642.44   7.174    108
    639.81   7.144    583
    637.44   7.118    148
    634.13   7.081     96
    633.31   7.072    121
    631.44   7.051    670
    629.13   7.025    153
    624.88   6.978     96
    622.56   6.952    264
    332.69   3.715    961
    332.31   3.711   1000

in CDCl3