6940-53-0

4-氯-2,5-二甲氧基硝基苯(6940-53-0)质谱(MS)

产品名称:4-氯-2,5-二甲氧基硝基苯

CAS:6940-53-0

分子式:C8H8ClNO4

分子量: 217.61

InChI:InChI=1S/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3

InChIKey: ORLPGMKKCAEWOW-UHFFFAOYSA-N

Smiles:C1(Cl)=CC(OC)=C([N+]([O-])=O)C=C1OC

Mass

MS-IW-3614          
1-chloro-2,5-dimethoxy-4-nitrobenzene
C8H8ClNO4           (Mass of molecular ion:    217)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.1
      27.0       1.2
      28.0       3.4
      29.0       2.5
      30.0       6.6
      37.0       1.2
      38.0       1.3
      39.0       3.5
      49.0       1.5
      50.0       7.2
      51.0       3.5
      52.0       1.0
      53.0      22.0
      54.0       1.2
      59.0       2.7
      60.0       2.0
      61.0       5.0
      62.0       9.9
      63.0      12.1
      64.0       2.1
      65.0       5.3
      66.0       1.1
      67.0       1.1
      69.0       2.3
      73.0       3.7
      74.0       4.2
      75.0       7.1
      76.0       3.8
      77.0      23.6
      78.0       5.1
      79.0       4.0
      80.0       1.0
      82.0       1.7
      84.0       1.2
      85.0      12.1
      86.0       3.3
      87.0       5.6
      88.0       2.2
      89.0       1.5
      91.0       1.2
      92.0       2.0
      93.0       6.3
      96.0       1.1
      97.0       6.1
      98.0       7.1
      99.0       4.4
     100.0       4.3
     101.0       1.3
     105.0       1.1
     107.0      10.4
     108.0      10.3
     109.0      11.6
     110.0       2.8
     111.0      18.4
     112.0       3.2
     113.0      30.5
     114.0       4.3
     115.0       8.9
     116.0       2.7
     121.0       3.2
     124.0       4.4
     126.0      24.1
     127.0       4.2
     128.0      14.4
     129.0       7.0
     130.0       2.9
     131.0       2.8
     137.0       1.2
     139.0       1.2
     140.0       1.0
     141.0      40.8
     142.0       6.2
     143.0      22.6
     144.0       8.0
     145.0       3.9
     146.0       2.2
     155.0       1.0
     156.0      20.4
     157.0      27.1
     158.0       9.3
     159.0      18.7
     160.0       1.7
     161.0       3.4
     169.0       1.2
     170.0      15.0
     171.0       3.2
     172.0      11.7
     173.0       1.9
     174.0       2.7
     187.0       4.2
     188.0       1.0
     189.0      10.8
     190.0       1.0
     191.0       5.0
     193.0       1.2
     202.0      12.8
     203.0       1.3
     204.0       4.3
     206.0       1.3
     217.0     100.0
     218.0       9.6
     219.0      33.4
     220.0       3.1
     245.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ Cl N O₄	0.046 g : 0.5 ml CDCl₃
1-chloro-2,5-dimethoxy-4-nitrobenzene

    Assign.     Shift(ppm)

      A             7.502
      B             7.155
      C     *1      3.939
      D     *1      3.921

     Hz     ppm     Int.

   2998.29   7.503    315
   2859.50   7.156    329
   1574.34   3.940   1000
   1567.14   3.922    967

in CDCl3

KBr disc

nujol mull