4214-28-2

2,4-二甲基-1-碘苯(4214-28-2)核磁图(¹HNMR)

产品名称:2,4-二甲基-1-碘苯

CAS:4214-28-2

分子式:C8H9I

分子量: 232.06

InChI:InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3

InChIKey: BUNKQJAMHYKQIM-UHFFFAOYSA-N

Smiles:C1(I)=CC=C(C)C=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3843          
4-iodo-m-xylene
C8H9I               (Mass of molecular ion:    232)

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

      27.0       1.7
      39.0       4.0
      50.0       2.5
      51.0       5.2
      52.0       1.9
      53.0       1.6
      62.0       2.0
      63.0       4.7
      64.0       1.2
      65.0       1.7
      74.0       1.3
      75.0       1.1
      76.0       1.1
      77.0      16.9
      78.0       6.7
      79.0      18.9
      80.0       1.2
      89.0       1.7
      90.0       1.3
     102.0       1.7
     103.0      14.7
     104.0       7.2
     105.0      46.5
     106.0       4.2
     116.0       1.2
     127.0       2.1
     217.0       1.1
     231.0       2.2
     232.0     100.0
     233.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ I	0.05 ml : 0.5 ml CDCl₃
4-iodo-m-xylene

    Assign.     Shift(ppm)

      A             7.609
      B             6.996
      C             6.629
      D     *1      2.339
      E     *1      2.216

     Hz     ppm     Int.

   3045.04   7.620    291
   3037.11   7.600    299
   2797.49   7.000    215
   2796.75   6.998    215
   2795.90   6.996    218
   2795.53   6.995    224
   2654.54   6.643    128
   2653.93   6.641    122
   2652.95   6.639    120
   2652.34   6.637    130
   2651.73   6.636    108
   2647.22   6.624     96
   2646.61   6.623    124
   2646.00   6.621    119
   2645.02   6.619    119
   2644.41   6.617    126
    945.19   2.366     36
    935.06   2.340   1000
    925.05   2.315     46
    885.74   2.217    965
    875.73   2.192     47

in CDCl3