1485-00-3

3,4-亚甲二氧-beta-硝基苯乙烯(1485-00-3)质谱(MS)

产品名称:3,4-亚甲二氧-beta-硝基苯乙烯

CAS:1485-00-3

分子式:C9H7NO4

分子量: 193.16

InChI:InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2

InChIKey: KFLWBZPSJQPRDD-UHFFFAOYSA-N

Smiles:O1C2=CC=C(C=C[N+]([O-])=O)C=C2OC1

¹HNMR

IR1

IR2

Mass

MS-IW-5422          
5-(2-nitrovinyl)-1,3-benzodioxole
C9H7NO4             (Mass of molecular ion:    193)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       2.9
      29.0       1.4
      30.0       1.5
      38.0       2.1
      39.0       6.9
      43.0       1.2
      50.0       4.1
      51.0       5.7
      52.0       2.2
      53.0       3.3
      55.0       1.9
      61.0       1.9
      62.0       9.3
      63.0      21.5
      64.0       2.4
      65.0       6.3
      66.0       1.6
      67.0       1.5
      69.0       2.4
      73.0       6.0
      73.5       1.0
      74.0       1.6
      75.0       1.2
      76.0       2.6
      77.0       5.4
      78.0       7.8
      79.0       5.1
      80.0       1.5
      86.0       1.3
      87.0       2.4
      88.0       4.5
      89.0      35.9
      90.0       4.3
      91.0       4.6
      92.0       1.3
      93.0       1.0
      94.0       1.0
      95.0       2.9
     105.0       2.6
     106.0       4.3
     107.0       1.7
     108.0       1.0
     117.0      13.4
     118.0       2.3
     119.0       1.4
     120.0       1.9
     121.0       4.9
     122.0       2.8
     133.0       3.3
     134.0       1.4
     135.0       3.4
     136.0       1.3
     137.0       2.2
     138.0       1.7
     145.0      17.2
     146.0      59.3
     147.0      11.7
     148.0       2.1
     149.0      11.7
     150.0      11.7
     151.0       1.4
     160.0       1.0
     161.0       1.8
     162.0       1.3
     163.0       1.4
     165.0       1.6
     166.0       1.4
     193.0     100.0
     194.0      10.5
     195.0       1.3