Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>3531-19-9More Spectrum> 2-Chloro-4,6-dinitroaniline(3531-19-9) 1H NMR

3531-19-9

2-Chloro-4,6-dinitroaniline(3531-19-9) 1H NMR

Molecular FormulaC6H4ClN3O4

Molecular Weight217.57

InChIInChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

InChIKey LHRIICYSGQGXSX-UHFFFAOYSA-N

SmilesC1(N)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1Cl

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR
    Mass

    MS-NW-1646          
    2-chloro-4,6-dinitroaniline
    C6H4ClN3O4          (Mass of molecular ion:    217)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       2.4
          27.0       1.0
          28.0       6.5
          30.0      14.6
          37.0       4.2
          38.0       4.8
          39.0       6.8
          40.0       1.0
          41.0       2.7
          44.0       4.1
          44.5       1.4
          46.0       1.1
          49.0       2.1
          50.0       4.7
          51.0       5.5
          52.0      25.3
          53.0       3.7
          60.0       1.3
          61.0      10.0
          62.0      21.2
          63.0      24.6
          64.0       5.5
          65.0      10.4
          66.0       1.5
          68.0       1.3
          69.0       1.2
          72.0       1.2
          73.0       5.1
          74.0       3.7
          75.0       5.3
          76.0       6.4
          77.0       2.6
          78.0      23.6
          79.0       1.9
          85.0       1.6
          86.0       3.6
          87.0       2.2
          88.0       5.9
          89.0      13.2
          90.0      37.4
          91.0       4.0
          94.0       2.2
          96.0       1.3
          97.0       5.1
          98.0      14.0
          99.0       3.4
         100.0       6.6
         101.0       1.8
         106.0       1.2
         112.0       1.6
         113.0       8.1
         114.0       1.7
         115.0       2.6
         119.0       2.3
         123.0       1.2
         124.0       4.6
         125.0      56.1
         126.0       7.8
         127.0      18.2
         128.0       2.2
         129.0       4.2
         131.0       1.3
         140.0       1.3
         141.0      19.6
         142.0       1.9
         143.0       6.3
         171.0      10.8
         173.0       3.5
         187.0      32.5
         188.0       2.5
         189.0      10.8
         201.0       2.3
         217.0     100.0
         218.0       8.2
         219.0      32.8
         220.0       2.7
    

400 MHz in DMSO-d6

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C6 H4 Cl N3 O4 0.038 g : 0.5 ml DMSO-d6
    2-chloro-4,6-dinitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.770 B 8.429 C 8.27

         Hz     ppm     Int.
    

       3506.47   8.774    979
       3503.78   8.768   1000
       3497.44   8.752     23
       3370.12   8.433    968
       3367.55   8.427    926
       3360.84   8.410     30
       3360.11   8.408     29
       3358.52   8.404     23
       3358.03   8.403     23
       3357.67   8.402     22
       3305.66   8.272    203
    

in DMSO-d6

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR

KBr disc

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR

nujol mull

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR

  • 2-Chloro-4,6-dinitroaniline(3531-19-9) <sup>1</sup>H NMR

2-Chloro-4,6-dinitroaniline(3531-19-9) 1H NMR Atlas of Related Products

×