16968-19-7

2,2'-二硝基联苄(16968-19-7)质谱(MS)

产品名称:2,2'-二硝基联苄

CAS:16968-19-7

分子式:C14H12N2O4

分子量: 272.26

InChI:InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2

InChIKey: YBOZRPPSBVIHGJ-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1[N+]([O-])=O)CC1=CC=CC=C1[N+]([O-])=O

¹HNMR

IR1

IR2

Mass

MS-IW-6729          
1,1'-ethylenebis(2-nitrobenzene)
C14H12N2O4          (Mass of molecular ion:    272)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.0
      27.0       2.4
      28.0       3.4
      29.0       2.7
      30.0       8.8
      38.0       1.2
      39.0      12.3
      40.0       1.6
      41.0       1.6
      50.0       4.6
      51.0      15.8
      52.0       7.2
      53.0       3.5
      62.0       2.7
      63.0      14.8
      64.0       8.7
      65.0      35.5
      66.0       6.8
      67.0       1.2
      74.0       1.9
      75.0       4.2
      76.0      19.3
      76.5       2.0
      77.0      29.9
      78.0      89.4
      79.0      13.0
      80.0       3.4
      81.0       1.0
      82.0       2.2
      82.5       2.1
      87.0       1.5
      88.0       5.0
      88.5       1.2
      89.0      27.1
      89.5       1.6
      90.0      12.2
      91.0      12.6
      92.0      78.0
      93.0      22.7
      94.0       3.9
     101.0       1.0
     102.0       2.5
     103.0       2.0
     104.0      15.0
     105.0      16.4
     106.0       5.0
     107.0       3.7
     108.0       6.3
     115.0       3.6
     118.0       1.4
     119.0      11.7
     120.0      60.4
     121.0      13.8
     122.0       2.0
     126.0       1.5
     127.0       2.3
     128.0       2.6
     130.0       1.0
     134.0       8.7
     135.0       5.0
     136.0     100.0
     137.0      13.0
     138.0       1.5
     139.0       3.4
     140.0       1.4
     141.0       1.1
     146.0       1.6
     150.0       3.6
     151.0       6.5
     152.0      18.6
     153.0       5.0
     154.0       2.9
     163.0       1.6
     164.0       2.1
     165.0      11.4
     166.0       5.0
     167.0       4.4
     168.0       1.9
     176.0       6.8
     177.0       5.7
     178.0      16.7
     179.0      16.1
     180.0      12.4
     181.0       9.5
     182.0       4.4
     183.0       1.3
     190.0       1.1
     191.0       1.4
     192.0       3.1
     193.0       3.4
     194.0       3.0
     195.0       2.6
     196.0       2.0
     206.0       2.2
     207.0       2.2
     208.0       4.9
     209.0       7.3
     210.0       4.9
     220.0       4.0
     221.0       3.0
     222.0       1.0
     237.0      11.4
     238.0       6.6
     239.0       1.2
     255.0      11.3
     256.0       2.0
     273.0       1.2