聯(lián)二噻吩(492-97-7)核磁圖(¹HNMR)

產(chǎn)品名稱:聯(lián)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

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

¹H NMR	300 MHz
C₈ H₆ S₂	0.020 g : 0.5 ml CDCl₃
2,2'-bithiophene

    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