2,3-二氯氯芐(3290-01-5)質譜(MS)

產品名稱:2,3-二氯氯芐

CAS:3290-01-5

分子式:C7H5Cl3

分子量: 195.47

InChI:InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2

InChIKey: AIPJZPPOFWCJRC-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(CCl)=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2211          
alpha,2,3-trichlorotoluene
C7H5Cl3             (Mass of molecular ion:    194)

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

      37.0       1.0
      38.0       1.0
      39.0       2.6
      43.0       2.3
      44.0       1.8
      49.0       1.1
      50.0       1.9
      51.0       1.3
      61.0       7.0
      61.5       2.9
      62.0       6.7
      63.0       8.0
      73.0       5.1
      74.0       1.3
      75.0       2.3
      79.0       3.6
      79.5       1.9
      80.0       2.4
      80.5       1.1
      84.0       1.0
      85.0       1.5
      86.0       1.8
      87.0       2.4
      89.0       9.1
      97.0       3.1
      99.0       2.8
     123.0      13.1
     124.0       4.9
     125.0       4.8
     126.0       1.6
     133.0       2.6
     135.0       1.7
     158.0       1.3
     159.0     100.0
     160.0       8.6
     161.0      64.8
     162.0       5.1
     163.0      10.5
     194.0      19.7
     195.0       2.3
     196.0      18.9
     197.0       1.7
     198.0       6.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl₃	0.05 ml : 0.5 ml CDCl₃
alpha,2,3-trichlorotoluene

    Assign.     Shift(ppm)

      A             7.383
      B             7.330
      C             7.159
      D             4.660

     Hz     ppm     Int.

   2955.93   7.397    217
   2954.35   7.393    237
   2948.00   7.377    252
   2946.41   7.373    286
   2934.57   7.343    211
   2932.98   7.339    203
   2930.30   7.333     23
   2929.69   7.331     24
   2926.88   7.324    267
   2925.78   7.321    177
   2925.29   7.320    236
   2868.29   7.178    280
   2860.35   7.158    395
   2852.66   7.138    194
   1862.30   4.660   1000

in CDCl3