122-37-2

對(duì)羥基二苯胺(122-37-2)質(zhì)譜(MS)

產(chǎn)品名稱:對(duì)羥基二苯胺

CAS:122-37-2

分子式:C12H11NO

分子量: 185.22

InChI:InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H

InChIKey: JTTMYKSFKOOQLP-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(NC2=CC=CC=C2)C=C1

Mass

MS-NW-0616          
p-anilinophenol
C12H11NO            (Mass of molecular ion:    185)

   Source Temperature: 170 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.9
      27.0       2.6
      28.0       2.0
      38.0       1.3
      39.0       7.4
      50.0       2.1
      51.0       7.1
      52.0       3.8
      53.0       3.4
      54.0       1.0
      55.0       1.3
      63.0       2.6
      64.0       1.7
      65.0       5.9
      66.0       6.2
      77.0       7.3
      78.0       3.2
      79.0       1.1
      80.0       1.5
      81.0       4.3
      82.0       3.2
      83.5       1.4
      91.0       1.2
      92.5       1.0
      93.0       1.9
     103.0       1.8
     104.0       1.4
     108.0       3.4
     115.0       1.7
     117.0       1.2
     120.0       1.1
     127.0       1.9
     128.0       4.2
     129.0       4.7
     130.0       4.0
     131.0       1.0
     139.0       1.0
     140.0       1.0
     154.0       4.2
     155.0       1.7
     156.0       7.2
     157.0       1.7
     158.0       1.1
     166.0       3.4
     167.0       3.5
     168.0       2.2
     170.0       1.1
     183.0       4.5
     184.0      14.5
     185.0     100.0
     186.0      13.4
     187.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N O	0.040 g : 0.5 ml CDCl₃
p-anilinophenol

    Assign.     Shift(ppm)

      A             7.197
      B             6.975
      C             6.878
      D             6.829
      E             6.749
      F             5.4

     Hz     ppm     Int.

   2884.40   7.218    501
   2882.81   7.214    254
   2876.95   7.199    789
   2875.98   7.197    802
   2868.53   7.178    609
   2792.60   6.988    839
   2790.65   6.983    366
   2783.81   6.966   1000
   2780.64   6.958    173
   2752.56   6.888    783
   2744.87   6.869    693
   2736.33   6.847    271
   2729.00   6.829    437
   2721.68   6.811    215
   2701.29   6.760    811
   2692.63   6.738    680
   2144.41   5.366     77

in CDCl3