14401-07-1

N-(2,4-二硝基苯基)-DL-苏氨酸(14401-07-1)红外图谱(IR2)

分子式:C10H11N3O7

分子量: 285.21

InChI:InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)/t5-,9+/m1/s1

InChIKey: PWOCOTZWYFGDMO-ANLVUFKYSA-N

Smiles:C(O)(=O)[C@H]([C@H](O)C)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

IR1

IR2

Mass

MS-NW-2015          
N-(2,4-dinitrophenyl)-DL-threonine
C10H11N3O7          (Mass of molecular ion:    285)

   Source Temperature: 220 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      12.0       2.2
      13.0       1.4
      14.0       5.5
      15.0      18.2
      16.0       4.5
      17.0      10.6
      18.0      49.8
      22.0       1.1
      25.0       1.4
      26.0       5.1
      27.0       8.2
      28.0      21.4
      29.0      52.0
      30.0      15.5
      37.0       4.6
      38.0       8.3
      39.0      11.4
      40.0       3.0
      41.0       4.6
      42.0       6.3
      43.0      30.7
      44.0     100.0
      45.0       6.9
      46.0       2.1
      49.0       1.2
      50.0       6.7
      51.0      12.5
      52.0      17.6
      53.0       4.9
      54.0       1.8
      55.0       1.5
      61.0       4.6
      62.0      14.1
      63.0      30.3
      64.0      11.4
      65.0       5.2
      66.0       8.3
      67.0       1.8
      68.0       1.0
      72.0       1.0
      74.0       3.3
      75.0       7.9
      76.0       8.3
      77.0      11.2
      78.0      21.6
      79.0       5.6
      80.0       6.0
      87.0       1.4
      88.0       3.8
      89.0       7.0
      90.0      40.5
      91.0      14.5
      92.0       3.5
      93.0       4.0
      94.0       2.2
     102.0       1.6
     103.0       4.8
     104.0       5.0
     105.0      24.4
     106.0       5.4
     107.0       3.4
     116.0      10.8
     117.0      41.2
     118.0       4.8
     119.0       4.1
     120.0       1.8
     121.0       4.3
     131.0       1.6
     132.0       1.0
     133.0      36.1
     134.0       6.5
     137.0       6.5
     138.0       1.2
     143.0       1.3
     147.0       4.5
     148.0       1.2
     149.0       8.1
     150.0       1.9
     153.0       4.4
     159.0       1.3
     163.0      70.2
     164.0       7.4
     165.0       2.1
     166.0       1.0
     167.0      14.3
     168.0       1.7
     177.0       1.5
     178.0       1.2
     179.0      49.5
     180.0       5.1
     181.0       1.0
     183.0       2.5
     189.0       2.2
     195.0       1.7
     196.0       2.7
     205.0       4.4
     207.0       1.0

KBr disc