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492-97-7

联二噻吩(492-97-7)质谱(MS)

产品名称:联二噻吩

CAS:492-97-7

分子式:C8H6S2

分子量: 166.26

InChI:InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H

InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N

Smiles:C1(C2SC=CC=2)SC=CC=1

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    Mass

    MS-NW-9191          
    2,2'-bithiophene
    C8H6S2              (Mass of molecular ion:    166)
    

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

          38.0       1.0
          39.0       4.0
          45.0       8.0
          50.0       1.1
          51.0       2.0
          58.0       3.2
          62.0       1.3
          63.0       3.3
          69.0       6.4
          70.0       1.1
          71.0       1.2
          74.0       1.0
          77.0       5.6
          82.0       2.5
          83.0       5.8
          89.0       3.0
          90.0       5.8
          93.0       1.3
          95.0       1.3
          96.0       1.4
         102.0       1.8
         108.0       5.8
         120.0       1.2
         121.0      27.8
         122.0       6.5
         123.0       1.7
         127.0       4.1
         133.0       1.2
         134.0      12.2
         135.0       1.2
         140.0       1.0
         165.0       8.2
         166.0     100.0
         167.0      11.0
         168.0       9.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C8 H6 S2 0.020 g : 0.5 ml CDCl3
    2,2'-bithiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.195 D(B) 7.168 D(C) 7.003 J(A,B) 1.22 J(A,C) 5.16 J(B,C) 3.62

         Hz     ppm     Int.
    

       2161.83   7.206    643
       2160.61   7.202    792
       2156.71   7.189    738
       2155.49   7.185   1000
       2152.85   7.176    822
       2151.64   7.172    693
       2149.21   7.164    993
       2147.99   7.160    712
       2105.10   7.017    848
       2101.45   7.005    770
       2099.99   7.000    749
       2096.34   6.988    617
    

in CDCl3

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KBr disc

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nujol mull

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