99-64-9

間二甲氨基苯甲酸(99-64-9)核磁圖(¹HNMR)

產(chǎn)品名稱:間二甲氨基苯甲酸

CAS:99-64-9

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey: NEGFNJRAUMCZMY-UHFFFAOYSA-N

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

Mass

MS-NW-3810          
m-(dimethylamino)benzoic acid
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.6
      27.0       1.2
      28.0       1.0
      38.0       1.1
      39.0       3.8
      42.0       7.4
      43.0       1.0
      44.0       3.1
      45.0       1.1
      50.0       3.5
      51.0       4.0
      52.0       1.5
      59.5       1.1
      63.0       3.2
      64.0       1.1
      65.0       5.9
      73.5       3.3
      74.0       1.8
      75.0       1.7
      76.0       1.9
      77.0       7.7
      78.0       3.3
      79.0       3.0
      82.5       2.0
      90.0       1.0
      91.0       2.9
      92.0       1.6
      93.0       1.5
     103.0       1.4
     104.0       3.9
     105.0       2.8
     118.0       5.3
     119.0       2.2
     120.0       3.4
     121.0       2.7
     132.0       1.0
     148.0       5.9
     149.0       5.9
     150.0       1.7
     164.0     100.0
     165.0      87.4
     166.0       9.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	0.040 g : 0.5 ml DMSO-d₆
m-(dimethylamino)benzoic acid

    Assign.     Shift(ppm)

      A             7.30
      B             7.28
      C             7.27
      D             6.957
      E             2.936

     Hz     ppm     Int.

   2925.17   7.320     24
   2917.85   7.302     72
   2910.16   7.282    178
   2908.45   7.278    140
   2902.59   7.263     23
   2901.12   7.260     26
   2786.74   6.973     30
   2784.30   6.967     40
   2782.23   6.962     29
   2779.30   6.955     28
   2777.59   6.951     28
   2776.37   6.948     31
   2774.78   6.944     27
   1173.58   2.937   1000

CCl4 solution