20325-40-0

3,3'-二甲氧基联苯胺盐酸盐(20325-40-0)核磁图(¹³CNMR)

产品名称:3,3'-二甲氧基联苯胺盐酸盐

CAS:20325-40-0

分子式:C14H17ClN2O2

分子量: 280.75

InChI:InChI=1S/C14H16N2O2.ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;/h3-8H,15-16H2,1-2H3;1H

InChIKey: QHRTZMDBPOUHPU-UHFFFAOYSA-N

Smiles:O(C1=C(C=CC(C2C=CC(N)=C(OC)C=2)=C1)N)C.Cl

Mass

MS-IW-3876          
3,3'-dimethoyxbenzidine dihydrochloride
C14H16N2O2 2HCl     (Mass of molecular ion:    244)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      28.0       1.6
      35.0       3.8
      36.0      32.9
      37.0       1.3
      38.0      10.9
      51.0       1.2
      52.0       1.2
      65.0       1.7
      71.5       1.5
      77.0       1.7
      78.0       1.8
      79.0      12.3
      79.5       1.5
      84.5       2.3
      85.0       2.6
      85.5       1.3
      93.0       6.5
      99.0       1.4
     100.0       1.3
     100.5       2.5
     104.0       1.1
     107.0       4.2
     114.0       1.0
     114.5       5.5
     115.0       2.2
     122.0       9.4
     122.5       1.5
     130.0       1.9
     157.0       1.3
     158.0       8.3
     159.0       1.1
     169.0       1.8
     170.0       1.1
     183.0       1.0
     184.0       1.4
     186.0       8.8
     187.0       1.1
     198.0       1.7
     199.0       1.2
     200.0       1.1
     201.0      36.4
     202.0       5.1
     213.0       1.3
     214.0       1.2
     215.0       1.0
     229.0      16.5
     230.0       2.7
     243.0       2.4
     244.0     100.0
     245.0      16.1
     246.0       1.7

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₄ H₁₆ N₂ O₂	saturated in D₂O
3,3'-dimethoyxbenzidine dihydrochloride

    Assign.     Shift(ppm)

      A             7.520
      B             7.395
      C             7.342
      E             4.052
     
     J(A,C)=8.2HZ
     J(B,C)=1.7HZ
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   3010.13   7.532    167
   3002.08   7.512    212
   2956.42   7.398    175
   2954.71   7.394    201
   2938.96   7.354    122
   2937.26   7.350     98
   2930.79   7.334     98
   2928.96   7.329     85
   1619.75   4.053   1000
   1610.35   4.030     23

in D2O