3,4-二甲氧基苯腈(2024-83-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:3,4-二甲氧基苯腈

CAS:2024-83-1

分子式:C9H9NO2

分子量: 163.17

InChI:InChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3

InChIKey: OSEQIDSFSBWXRE-UHFFFAOYSA-N

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

Mass

MS-NW-6494          
3,4-dimethoxybenzonitrile
C9H9NO2             (Mass of molecular ion:    163)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       6.9
      18.0       1.2
      26.0       4.1
      27.0       1.0
      28.0       2.3
      29.0       3.1
      31.0       5.3
      37.0       2.2
      38.0       5.6
      39.0       4.6
      41.0       1.2
      49.0       1.0
      50.0       9.6
      51.0       7.3
      52.0       1.5
      53.0       2.9
      54.0       1.3
      61.0       1.6
      62.0       5.7
      63.0       7.9
      64.0       2.8
      65.0      24.7
      66.0       3.3
      75.0       3.9
      76.0       6.3
      77.0      25.2
      78.0       2.1
      79.0       1.1
      88.0       1.6
      89.0       3.3
      90.0       6.5
      92.0      21.6
      93.0       3.8
     102.0      11.7
     103.0       1.6
     104.0       1.1
     105.0       3.7
     117.0       3.3
     118.0       1.9
     120.0      25.2
     121.0       1.8
     146.0       1.5
     147.0       1.8
     148.0      35.7
     149.0       3.2
     163.0     100.0
     164.0      10.2
     165.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O₂	0.049 g : 0.5 ml CDCl₃
3,4-dimethoxybenzonitrile

    Assign.     Shift(ppm)

      A             7.280
      B             7.082
      C             6.910
      D     *1      3.933
      E     *1      3.903
     
     J(A,B)=1.9HZ. J(A,C)=8.3HZ.

     Hz     ppm     Int.

    658.13   7.349     80
    656.19   7.327     97
    649.75   7.255    121
    647.88   7.235    159
    635.06   7.091    154
    633.19   7.071    129
    622.06   6.946    167
    613.75   6.853    105
    352.31   3.934    998
    349.56   3.904   1000

in CDCl3