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返回ChemicalBook首页>CAS数据库列表>33904-04-0更多图谱> 3,4-二甲氧基苯基异硫氰酸酯(33904-04-0)核磁图(1HNMR)

33904-04-0

3,4-二甲氧基苯基异硫氰酸酯(33904-04-0)核磁图(1HNMR)

分子式:C9H9NO2S

分子量: 195.24

InChI:InChI=1S/C9H9NO2S/c1-11-8-4-3-7(10-6-13)5-9(8)12-2/h3-5H,1-2H3

InChIKey: LHPZZVZPOZPDDB-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(N=C=S)C=C1OC

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    Mass

    MS-KW-0193          
    3,4-dimethoxyphenyl isothiocyanate
    C9H9NO2S            (Mass of molecular ion:    195)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.4
          28.0       1.0
          38.0       1.1
          39.0       1.6
          45.0       1.2
          50.0       2.2
          51.0       3.3
          53.0       1.4
          62.0       1.2
          63.0       2.6
          64.0       1.5
          65.0       3.6
          66.0       2.0
          70.0       2.0
          77.0       1.9
          78.0       1.1
          79.0       2.9
          80.0       1.4
          82.0       1.1
          83.0       3.2
          86.0       1.3
          89.0       1.0
          90.0       1.2
          93.0       6.1
          94.0      18.8
          95.0       2.1
          97.5       3.5
         109.0       4.4
         119.0       1.0
         121.0       1.5
         122.0       3.2
         123.0       1.2
         124.0       2.5
         134.0       4.5
         137.0       3.9
         149.0       1.2
         150.0       2.5
         152.0      10.8
         153.0       1.0
         179.0       1.2
         180.0      40.3
         181.0       4.3
         182.0       2.2
         195.0     100.0
         196.0      11.5
         197.0       5.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H9 N O2 S 0.038 g : 0.5 ml CDCl3
    3,4-dimethoxyphenyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.815 B 6.790 C 6.734 D *1 3.878 E *1 3.867

         Hz     ppm     Int.
    

       2731.57   6.835     64
       2729.37   6.830     67
       2723.02   6.814    197
       2720.83   6.809    232
       2715.58   6.795    247
       2707.03   6.774     72
       2692.50   6.738    172
       2690.31   6.732    153
       1556.88   3.896     25
       1549.80   3.878   1000
       1545.65   3.868    933
    

in CDCl3

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KBr disk

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Nujol

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