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609-40-5

2-硝基噻吩(609-40-5)Raman光谱

产品名称:2-硝基噻吩

CAS:609-40-5

分子式:C4H3NO2S

分子量: 129.14

InChI:InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H

InChIKey: JIZRGGUCOQKGQD-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)SC=CC=1

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    Mass

    MS-IW-4323          
    2-nitrothiophene
    C4H3NO2S            (Mass of molecular ion:    129)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.2
          28.0       1.9
          30.0       3.8
          37.0       2.3
          38.0       4.3
          39.0      56.6
          40.0       1.9
          44.0       1.5
          45.0      14.5
          50.0       1.4
          52.0       1.1
          55.0      14.1
          57.0      10.4
          58.0       1.6
          69.0       1.9
          70.0       1.0
          71.0       5.8
          81.0       4.2
          82.0       4.9
          83.0       9.6
          84.0       1.0
          99.0       8.8
         113.0       4.3
         129.0     100.0
         130.0       5.8
         131.0       5.1
    

parameter in cyclohexane

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    1H NMR 300 MHz
    C4 H3 N O2 S in cyclohexane
    2-nitrothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.89 D(B) 7.12 D(C) 9.03 J(A,B) 3.8 J(A,C) 1.5 J(B,C) 5.3 GRONOWITZ,S. & HOFFMAN,R.A. ARK.KEMI. 13, 279 (1958)

         Hz     ppm     Int.
    

       2712.42   9.041    943
       2710.93   9.036    956
       2707.11   9.024    966
       2705.62   9.019    968
       2369.66   7.899    949
       2368.17   7.894    961
       2365.86   7.886   1000
       2364.39   7.881    974
       2140.51   7.135    933
       2136.73   7.122    955
       2135.24   7.117    967
       2131.44   7.105    887
    

KBr disc

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