1655-52-3

二硝基苯丙氨酸(1655-52-3)红外图谱(IR1)

产品名称:二硝基苯丙氨酸

CAS:1655-52-3

分子式:C9H9N3O6

分子量: 255.18

InChI:InChI=1S/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)/t5-/m0/s1

InChIKey: KKHLKORVTUUSBC-YFKPBYRVSA-N

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

IR1

IR2

Mass

MS-NW-2030          
N-(2,4-dinitrophenyl)-L-alanine
C9H9N3O6            (Mass of molecular ion:    255)

   Source Temperature: 190 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      12.0       1.6
      14.0       1.0
      15.0       4.7
      16.0       4.8
      17.0      13.6
      18.0      68.2
      22.0       1.0
      26.0       3.4
      27.0       8.5
      28.0      16.8
      29.0       5.3
      30.0      12.9
      37.0       3.2
      38.0       8.0
      39.0      10.7
      40.0       3.8
      41.0       4.6
      42.0      15.3
      43.0      70.6
      44.0     100.0
      45.0       3.1
      46.0       1.7
      50.0       7.9
      51.0      11.6
      52.0      14.6
      53.0       3.9
      54.0       1.5
      55.0       1.1
      61.0       3.6
      62.0      12.2
      63.0      36.3
      64.0      12.2
      65.0       6.6
      66.0       6.2
      67.0       2.0
      74.0       5.8
      75.0      13.3
      76.0      11.5
      77.0      12.3
      78.0      14.4
      79.0       5.7
      80.0       4.2
      87.0       1.4
      88.0       3.2
      89.0       9.9
      90.0      34.0
      91.0      13.0
      92.0       4.6
      93.0       4.0
      94.0       2.0
     102.0       3.6
     103.0       6.5
     104.0      18.8
     105.0       7.9
     106.0       7.2
     107.0       4.0
     116.0       7.3
     117.0       9.7
     118.0      14.4
     119.0      15.0
     120.0       2.9
     121.0       2.8
     129.0       4.3
     130.0       6.4
     131.0      48.4
     132.0       7.2
     133.0       5.0
     134.0       5.6
     135.0       2.2
     137.0       5.5
     145.0       1.5
     146.0       3.3
     147.0      26.8
     148.0       4.7
     149.0       3.0
     151.0       1.8
     153.0       4.2
     161.0       8.2
     162.0       1.8
     163.0       6.1
     164.0      12.6
     165.0       2.3
     166.0       1.3
     167.0       9.5
     168.0       1.0
     175.0       5.0
     176.0       2.2
     177.0      85.7
     178.0       9.8
     179.0       3.6
     191.0       3.0
     192.0       1.9
     193.0      25.1
     194.0       4.7
     195.0       1.1
     205.0       1.0
     209.0       4.7
     210.0      29.1
     211.0       3.0
     255.0       3.3

KBr disc