4'-氯-4-氨基二苯醚(101-79-1)質(zhì)譜(MS)

產(chǎn)品名稱:4'-氯-4-氨基二苯醚

CAS:101-79-1

分子式:C12H10ClNO

分子量: 219.67

InChI:InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

InChIKey: YTISFYMPVILQRL-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(OC2=CC=C(Cl)C=C2)C=C1

Mass

MS-NW-7928          
p-(p-chlorophenoxy)aniline
C12H10ClNO          (Mass of molecular ion:    219)

   Source Temperature: 150 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       1.0
      27.0       1.5
      28.0       2.5
      38.0       1.4
      39.0       5.8
      41.0       1.4
      50.0       2.8
      51.0       2.5
      52.0       3.3
      53.0       5.2
      54.0       1.7
      62.0       1.0
      63.0       3.5
      64.0       2.3
      65.0       9.6
      66.0       1.5
      74.0       1.3
      75.0       5.4
      76.0       1.2
      77.0       1.3
      80.0      13.2
      81.0       1.1
      92.0       2.0
     108.0      78.6
     109.0       6.2
     111.0       3.0
     113.0       1.0
     127.0       1.8
     128.0       2.2
     139.0       1.0
     154.0       1.5
     156.0       6.1
     183.0       1.4
     184.0       1.0
     190.0       3.3
     192.0       1.2
     218.0       1.8
     219.0     100.0
     220.0      14.5
     221.0      32.8
     222.0       4.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ Cl N O	0.036 g : 0.5 ml DMSO-d₆
p-(p-chlorophenoxy)aniline

    Assign.     Shift(ppm)

      A             7.333
      B             6.870
      C             6.782
      D             6.618
      E             5.04

     Hz     ppm     Int.

   2938.84   7.354    111
   2935.30   7.345    875
   2933.23   7.340    303
   2928.71   7.329    319
   2926.51   7.323    994
   2922.97   7.314    103
   2753.42   6.890    131
   2750.00   6.882    958
   2747.80   6.876    313
   2743.16   6.864    305
   2741.09   6.859    895
   2737.43   6.850     92
   2718.63   6.803    104
   2715.21   6.794    786
   2713.13   6.789    278
   2708.74   6.778    317
   2706.54   6.773   1000
   2703.13   6.764    111
   2652.22   6.637    138
   2648.80   6.628    992
   2646.73   6.623    303
   2642.33   6.612    278
   2640.14   6.607    778
   2636.72   6.598     78
   2013.18   5.038    676

in DMSO-d6

in CDCl3