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123-09-1

4-氯茴香硫醚(123-09-1)核磁图(1HNMR)

产品名称:4-氯茴香硫醚

CAS:123-09-1

分子式:C7H7ClS

分子量: 158.65

InChI:InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey: KIQQUVJOLVCZKG-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(SC)C=C1

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    Mass

    MS-NW-9672          
    p-chlorophenyl methyl sulfide
    C7H7ClS             (Mass of molecular ion:    158)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.3
          45.0      12.3
          46.0       1.5
          47.0       2.2
          50.0       4.5
          51.0       2.8
          58.0       1.2
          61.0       1.1
          62.0       1.3
          63.0       4.1
          69.0       4.2
          73.0       2.6
          74.0       3.1
          75.0       6.8
          76.0       1.2
          77.0       4.3
          79.0       3.1
          80.0       1.1
          81.0       1.0
          82.0       2.2
          99.0       5.1
         101.0       1.6
         107.0       1.9
         108.0      31.4
         109.0       2.5
         110.0       1.5
         111.0       1.5
         112.0      12.6
         113.0       1.4
         114.0       4.1
         121.0       1.3
         122.0       1.3
         123.0       6.1
         125.0      12.9
         126.0       1.1
         127.0       4.1
         142.0       1.1
         143.0      45.7
         144.0       3.9
         145.0      16.9
         146.0       1.2
         157.0       4.4
         158.0     100.0
         159.0      10.1
         160.0      36.5
         161.0       3.1
         162.0       1.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 Cl S 0.05 ml : 0.5 ml CDCl3
    p-chlorophenyl methyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.206 B 7.129 C 2.410

         Hz     ppm     Int.
    

       2887.70   7.226     58
       2885.13   7.220    365
       2882.93   7.214    147
       2878.54   7.203    198
       2876.34   7.198    499
       2873.78   7.191    103
       2854.86   7.144    104
       2852.29   7.137    513
       2850.10   7.132    171
       2845.58   7.121    142
       2843.51   7.116    319
       2840.82   7.109     48
        963.26   2.411   1000
    

in CDCl3

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liquid film

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