23050-90-0

4-DIETHYLAMINOSALICYLIC ACID(23050-90-0)质谱(MS)

产品名称:4-DIETHYLAMINOSALICYLIC ACID

CAS:23050-90-0

分子式:C11H15NO3

分子量: 209.24

InChI:InChI=1S/C11H15NO3/c1-3-12(4-2)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)

InChIKey: IZYRYLLQDKRMKK-UHFFFAOYSA-N

Smiles:C1(C=CC(C(=O)O)=C(O)C=1)N(CC)CC

Mass

MS-NW-6486          
4-(diethylamino)salicylic acid
C11H15NO3           (Mass of molecular ion:    209)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.3
      18.0       5.7
      27.0       7.8
      28.0       4.0
      29.0       9.8
      38.0       1.8
      39.0       7.0
      41.0       2.4
      42.0       2.5
      44.0       4.9
      45.0       1.2
      50.0       1.3
      51.0       3.5
      52.0       2.6
      53.0       4.7
      54.0       1.3
      55.0       1.9
      56.0       2.1
      62.0       1.5
      63.0       5.7
      64.0       3.8
      65.0       7.5
      66.0       2.1
      67.0       1.4
      68.0       1.6
      69.0       1.2
      77.0       3.7
      78.0       3.5
      79.0       3.3
      80.0       1.7
      81.0       3.9
      88.0       3.2
      91.0       7.1
      92.0       4.4
      93.0       2.9
      94.0       2.1
      95.0       1.1
      95.5       1.3
     104.0       2.0
     104.5       1.2
     105.0       2.7
     106.0       2.2
     107.0       1.9
     108.0       1.2
     118.0       1.2
     119.0       9.7
     120.0       4.5
     121.0       1.4
     122.0       4.6
     133.0       1.9
     134.0       1.7
     135.0       2.1
     136.0       2.1
     146.0       1.9
     147.0       3.9
     148.0      15.1
     149.0       3.2
     150.0      15.8
     151.0       1.6
     160.0       1.0
     161.0       1.7
     162.0       6.4
     163.0       1.2
     164.0       2.6
     165.0       7.5
     166.0       1.0
     176.0     100.0
     177.0      11.5
     178.0       1.7
     180.0       2.1
     190.0       6.0
     191.0       3.7
     192.0       3.2
     194.0      80.1
     195.0       9.1
     196.0       1.1
     208.0       1.4
     209.0      62.4
     210.0       8.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₅ N O₃	0.041 g : 0.5 ml CDCl₃
4-(diethylamino)salicylic acid

    Assign.     Shift(ppm)

      A            11.
      B            11.
      C             7.701
      D             6.17
      E             6.13
      F             3.384
      G             1.196

     Hz     ppm     Int.

    694.53   7.755    104
    691.80   7.725     42
    691.20   7.718     34
    689.92   7.704     33
    689.58   7.700     32
    689.06   7.694     35
    685.56   7.655    117
    560.55   6.259    107
    557.64   6.227     44
    556.79   6.217     40
    549.18   6.132    254
    313.77   3.504    129
    310.61   3.469     86
    306.76   3.426    386
    299.67   3.347    408
    292.92   3.271    150
    118.35   1.322     55
    113.82   1.271    474
    106.98   1.195   1000
     99.80   1.115    421

in CDCl3

KBr disc

nujol mull

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