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585-79-5

间溴硝基苯(585-79-5)红外图谱(IR)

产品名称:间溴硝基苯

CAS:585-79-5

分子式:C6H4BrNO2

分子量: 202.01

InChI:InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1279          
    m-bromonitrobenzene
    C6H4BrNO2           (Mass of molecular ion:    201)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       1.0
          28.0       4.3
          30.0      25.7
          36.0       1.0
          37.0       6.7
          38.0       8.5
          39.0       3.4
          49.0       4.3
          50.0      56.0
          51.0       8.7
          61.0       2.5
          62.0       2.6
          63.0       7.1
          64.0       5.3
          73.0       5.1
          74.0      25.3
          75.0      85.2
          76.0      74.7
          77.0       6.2
          90.0       1.0
          92.0       4.0
         105.0       1.0
         117.0       1.7
         119.0       1.7
         129.0       2.8
         131.0       2.7
         143.0      20.2
         144.0       1.1
         145.0      19.4
         146.0       1.1
         155.0     100.0
         156.0       7.3
         157.0      97.8
         158.0       6.3
         171.0       6.7
         173.0       6.5
         185.0       1.1
         187.0       1.3
         201.0      94.1
         202.0       6.8
         203.0      91.7
         204.0       6.7
    

parameter in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C6 H4 Br N O2 15 wt% in CDCl3
    m-bromonitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.390 D(B) 7.829 D(C) 7.429 D(D) 8.172 J(A,B) 2.18 J(A,C) 0.30 J(A,D) 1.90 J(B,C) 8.26 J(B,D) 0.99 J(C,D) 7.99 BATTS,B.D. & PALLOS,G. ORG.MAGN.RESON. 13, 349 (1980)

         Hz     ppm     Int.
    

       2519.05   8.397    533
       2517.03   8.390   1000
       2515.00   8.383    575
       2457.08   8.190    346
       2456.10   8.187    386
       2455.21   8.184    366
       2454.23   8.181    333
       2449.10   8.164    371
       2448.12   8.160    414
       2447.23   8.157    393
       2446.25   8.154    357
       2354.55   7.848    329
       2353.56   7.845    348
       2352.37   7.841    344
       2351.39   7.838    321
       2346.28   7.821    381
       2345.30   7.818    397
       2344.12   7.814    395
       2343.13   7.810    363
       2236.61   7.455    566
       2228.49   7.428    960
       2220.38   7.401    460
    

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    1H NMR 89.56 MHz
    C6 H4 Br N O2 0.075 g : 0.5 ml CDCl3
    m-bromonitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.378 B 8.176 C 7.834 D 7.458

         Hz     ppm     Int.
    

        752.63   8.404    464
        750.44   8.380   1000
        748.63   8.359    665
        738.25   8.244    393
        737.13   8.231    426
        736.00   8.218    312
        734.94   8.207    315
        730.06   8.152    448
        729.00   8.140    518
        727.94   8.128    410
        726.81   8.116    394
        707.88   7.904    354
        706.69   7.891    412
        706.00   7.883    351
        704.81   7.870    336
        699.88   7.815    589
        698.75   7.803    583
        698.00   7.794    602
        696.88   7.782    482
        674.75   7.535    769
        666.63   7.444    998
        658.63   7.355    403
    

in CDCl3

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CCl4 solution

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KBr disc

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liquid film

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nujol mull

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4880 A,200 M,powder

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