4,4'-二氨基-3,3'-二甲基聯(lián)苯基甲烷(838-88-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:4,4'-二氨基-3,3'-二甲基聯(lián)苯基甲烷

CAS:838-88-0

分子式:C15H18N2

分子量: 226.32

InChI:InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3

InChIKey: WECDUOXQLAIPQW-UHFFFAOYSA-N

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

Mass

MS-IW-2160          
4,4'-methylenebis(2-methylaniline)
C15H18N2            (Mass of molecular ion:    226)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.5
      39.0       1.3
      42.0       1.1
      51.0       1.4
      52.0       1.1
      53.0       1.0
      65.0       1.6
      77.0       5.0
      78.0       1.6
      79.0       1.1
      90.0       1.3
      91.0       4.0
      92.0       1.3
      93.0       1.0
      96.5       1.8
      97.5       2.6
      98.0       4.3
     103.0       1.2
     104.0       4.6
     104.5       3.1
     105.0       5.5
     105.5       8.1
     106.0       3.9
     107.0       4.5
     112.0       1.2
     112.5       1.2
     113.0       7.5
     113.5       1.2
     115.0       1.0
     117.0       1.3
     118.0       4.4
     119.0       5.9
     120.0      23.4
     121.0       2.2
     165.0       1.6
     167.0       1.4
     168.0       1.2
     180.0       2.7
     181.0       1.4
     182.0       1.2
     183.0       1.0
     193.0       2.8
     194.0       5.0
     195.0       8.1
     196.0       3.7
     208.0       3.4
     209.0       6.1
     210.0      17.7
     211.0      53.8
     212.0       8.7
     223.0       1.3
     225.0      47.4
     226.0     100.0
     227.0      16.4
     228.0       1.3
     345.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₈ N₂	0.035 g : 0.5 ml CDCl₃
4,4'-methylenebis(2-methylaniline)

    Assign.     Shift(ppm)

      A             6.86
      B             6.84
      C             6.577
      D             3.722
      E             3.40
      F             2.106
     
     J(B,C)=7.9HZ

     Hz     ppm     Int.

   2740.23   6.857    205
   2736.57   6.848    120
   2728.64   6.828    113
   2727.05   6.824     90
   2632.32   6.587    209
   2624.39   6.567    182
   1487.43   3.722    292
   1358.28   3.399     51
    841.92   2.107   1000

in CDCl3