5809-23-4

4-二乙氨基酮酸(5809-23-4)核磁图(¹³CNMR)

分子式:C18H19NO4

分子量: 313.35

InChI:InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)

InChIKey: FQNKTJPBXAZUGC-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O

Mass

MS-IW-3627          
O-(4-diethylamino-2-hydroxybenzoyl)benzoic acid
C18H19NO4           (Mass of molecular ion:    313)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.0
      29.0       1.9
      39.0       1.3
      53.0       1.1
      65.0       4.3
      77.0       2.2
      92.0       1.2
      93.0       2.9
     104.0       1.2
     105.0       1.8
     121.0       2.0
     122.0       2.3
     126.0       1.4
     133.5       2.6
     136.0       1.0
     139.0       3.3
     139.5       1.1
     140.0       1.8
     148.0       2.9
     149.0       8.8
     150.0       3.7
     156.5       2.0
     162.0       1.0
     164.0       1.0
     167.0       1.6
     168.0       1.4
     192.0       2.6
     195.0       2.1
     196.0       1.7
     210.0       1.0
     223.0       3.6
     224.0       3.2
     250.0       1.0
     252.0       5.5
     253.0       1.0
     268.0       3.8
     280.0      12.0
     281.0       2.4
     298.0     100.0
     299.0      19.4
     300.0       2.6
     312.0       2.5
     313.0      50.5
     314.0      10.4
     315.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₉ N O₄	0.047 g : 0.5 ml DMSO-d₆
o-(4-diethylamino-2-hydroxybenzoyl)benzoic acid

    Assign.     Shift(ppm)

      A     *1     12.61
      B             7.983
      C     *2      7.685
      D     *2      7.617
      E             7.386
      F             6.811
      G             6.183
      J             6.089
      K     *1      3.6
      L             3.379
      M             1.097

     Hz     ppm     Int.

   5038.36  12.607    414
   3195.16   7.995    136
   3194.06   7.993    142
   3187.46   7.976    155
   3186.36   7.973    153
   3080.86   7.709     57
   3079.58   7.706     63
   3073.35   7.691    150
   3072.25   7.688    152
   3066.02   7.672    112
   3064.74   7.669    107
   3051.55   7.636    101
   3050.45   7.633    112
   3044.04   7.617    144
   3042.76   7.614    152
   3036.53   7.598     63
   3035.25   7.595     61
   2955.94   7.397    154
   2954.84   7.394    159
   2948.43   7.378    141
   2947.33   7.375    135
   2726.80   6.823    236
   2717.82   6.801    263
   2477.14   6.199    112
   2474.76   6.193    122
   2467.99   6.176    105
   2465.42   6.169    118
   2434.83   6.093    240
   2432.45   6.087    215
   1368.62   3.425     31
   1368.25   3.424     31
   1361.11   3.406    140
   1354.15   3.389    381
   1347.19   3.371    383
   1340.05   3.354    139
    452.79   1.133     30
    445.46   1.115    476
    438.50   1.098   1000
    431.54   1.080    446

in DMSO-d6