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返回ChemicalBook首页>CAS数据库列表>4920-79-0更多图谱> 2-氯-4-硝基苯甲醚(4920-79-0)红外图谱(IR2)

4920-79-0

2-氯-4-硝基苯甲醚(4920-79-0)红外图谱(IR2)

分子式:C7H6ClNO3

分子量: 187.58

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

InChIKey: DLJPNXLHWMRQIQ-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C([N+]([O-])=O)C=C1Cl

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    Mass

    MS-IW-6502          
    2-chloro-1-methoxy-4-nitrobenzene
    C7H6ClNO3           (Mass of molecular ion:    187)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       4.5
          30.0       3.4
          31.0       1.1
          32.0       1.3
          37.0       1.3
          38.0       1.5
          50.0       3.9
          51.0       4.4
          53.0       2.7
          61.0       2.3
          62.0       5.5
          63.0      20.5
          64.0       1.5
          72.0       1.4
          73.0       1.7
          74.0       5.7
          75.0      12.1
          76.0       3.5
          77.0      17.6
          78.0       3.5
          79.0       7.8
          84.0       1.1
          86.0       1.2
          97.0       2.5
          98.0       9.4
          99.0       1.5
         100.0       3.2
         107.0      20.1
         108.0       1.6
         109.0       1.0
         110.0       1.6
         111.0      20.9
         112.0       2.1
         113.0       7.8
         114.0       1.8
         126.0      30.6
         127.0       2.2
         128.0      10.1
         129.0       2.0
         141.0       9.5
         142.0       1.5
         143.0       3.1
         157.0      23.0
         158.0       1.8
         159.0       7.6
         171.0       2.5
         187.0     100.0
         188.0       8.3
         189.0      33.1
         190.0       2.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Cl N O3 0.038 g : 0.5 ml CDCl3
    2-chloro-1-methoxy-4-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.282 B 8.172 C 7.017 D 4.027

         Hz     ppm     Int.
    

       3311.52   8.287    201
       3308.84   8.280    219
       3271.97   8.188    112
       3269.17   8.181     98
       3262.82   8.165    115
       3260.13   8.158    102
       2808.96   7.029    175
       2799.93   7.006    168
       1609.50   4.028   1000
    

in CDCl3

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KBr disc

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nujol mull

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