5-CHLORO-2-NITROANISOLE(6627-53-8) IR1

Product Name5-CHLORO-2-NITROANISOLE

CAS 6627-53-8

Molecular FormulaC7H6ClNO3

Molecular Weight187.58

InChIInChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

InChIKey ABEUJUYEUCCZQF-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1OC

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Mass

MS-NW-6851          
5-chloro-2-nitroanisole
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.6
      18.0       2.2
      26.0       1.3
      27.0       1.6
      28.0       5.4
      29.0       3.7
      30.0      10.8
      31.0       7.9
      36.0       1.9
      37.0       6.1
      38.0       6.7
      39.0       5.0
      44.0       1.3
      46.0       1.2
      49.0       2.7
      50.0      13.0
      51.0      13.4
      52.0       2.6
      53.0       6.2
      55.0       1.0
      59.0       1.1
      60.0       2.5
      61.0       8.0
      62.0      17.0
      63.0      57.9
      64.0       4.6
      65.0      14.3
      66.0       2.1
      72.0       2.3
      73.0       7.2
      74.0      12.1
      75.0      42.2
      76.0      14.9
      77.0      12.5
      78.0      11.2
      79.0      10.3
      80.0       1.1
      84.0       2.3
      85.0       4.1
      86.0       3.9
      87.0       2.4
      88.0       1.6
      90.0       1.2
      91.0       2.9
      92.0       1.1
      93.0      11.1
      94.0       8.2
      97.0       2.5
      98.0      21.5
      99.0      18.1
     100.0       8.1
     101.0       6.3
     110.0       4.2
     111.0      55.0
     112.0      16.9
     113.0      23.6
     114.0      12.4
     115.0       2.7
     116.0       2.5
     125.0       1.2
     126.0      50.4
     127.0      13.4
     128.0      18.8
     129.0      26.3
     130.0       3.0
     131.0       7.6
     132.0       1.0
     136.0       1.0
     139.0       1.6
     140.0     100.0
     141.0       7.7
     142.0      35.2
     143.0       3.0
     144.0       1.0
     153.0       1.0
     157.0      34.3
     158.0       6.3
     159.0      11.3
     160.0       2.0
     170.0       1.2
     171.0       1.2
     183.0       1.2
     187.0      72.6
     188.0       6.3
     189.0      24.7
     190.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl N O₃	0.040 g : 0.5 ml CDCl₃
5-chloro-2-nitroanisole

    Assign.     Shift(ppm)

      A             7.841
      B             7.090
      C             7.019
      D             3.974

     Hz     ppm     Int.

   3138.31   7.853    179
   3129.64   7.831    187
   2834.72   7.094    205
   2833.01   7.089    218
   2810.18   7.032    126
   2808.59   7.028    115
   2801.39   7.010    119
   2799.80   7.006    108
   1588.26   3.975   1000
   1579.96   3.954     39

in CDCl3