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1635-61-6

2-硝基-5-氯苯胺(1635-61-6)核磁图(1HNMR)

产品名称:2-硝基-5-氯苯胺

CAS:1635-61-6

分子式:C6H5ClN2O2

分子量: 172.57

InChI:InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2

InChIKey: ZCWXYZBQDNFULS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7830          
    5-chloro-2-nitroaniline
    C6H5ClN2O2          (Mass of molecular ion:    172)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.1
          28.0       4.2
          30.0       2.8
          37.0       2.3
          38.0       4.6
          39.0       6.3
          40.0       1.2
          41.0       3.8
          44.5       1.0
          49.0       1.4
          50.0       2.7
          51.0       4.8
          52.0      13.0
          53.0       1.7
          61.0       3.6
          62.0       8.7
          63.0      28.0
          64.0       8.1
          65.0       5.5
          66.0       1.3
          73.0       7.2
          74.0       2.0
          75.0       3.3
          76.0       4.2
          77.0       1.1
          78.0       4.8
          79.0       1.0
          87.0       1.8
          88.0       1.4
          89.0       3.2
          90.0      27.6
          91.0      11.3
          92.0       1.0
          97.0       1.0
          98.0       2.1
          99.0      36.4
         100.0       3.3
         101.0      11.4
         102.0       1.0
         103.0       1.4
         112.0       1.2
         114.0      13.9
         115.0       1.1
         116.0       4.6
         124.0       2.0
         125.0       4.4
         126.0      38.0
         127.0       3.8
         128.0      12.1
         142.0      19.4
         143.0       1.5
         144.0       6.2
         155.0       3.7
         156.0       2.5
         157.0       1.4
         172.0     100.0
         173.0       7.8
         174.0      31.6
         175.0       2.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H5 Cl N2 O2 0.035 g : 0.5 ml CDCl3
    5-chloro-2-nitroaniline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.060 D(B) 6.836 D(C) 6.664 J(A,B) 0. J(A,C) 9.1 J(B,C) 2.1 D(D) 6.16

         Hz     ppm     Int.
    

       2422.60   8.075    915
       2413.51   8.045    955
       2051.87   6.840    926
       2049.79   6.833   1000
       2004.72   6.682    514
       2002.65   6.675    474
       1995.63   6.652    490
       1993.55   6.645    456
       1848.00   6.160    137
    

in CDCl3

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KBr disc

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nujol mull

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