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Back ChemicalBook Home>CAS DataBase List>117823-19-5More Spectrum> 3,5-dithiophen-2-ylpyridine(117823-19-5) IR1

3,5-dithiophen-2-ylpyridine(117823-19-5) IR1

Molecular FormulaC13H9NS2

Molecular Weight243.35

InChIInChI=1S/C13H9NS2/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h1-9H

InChIKey SUMWAXQPZIMWFN-UHFFFAOYSA-N

SmilesC1=NC=C(C2SC=CC=2)C=C1C1SC=CC=1


  • Mass

    MS-IW-8140          
    3,5-di(2-thienyl)pyridine
    C13H9NS2            (Mass of molecular ion:    243)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          45.0       1.6
          63.0       1.2
          69.0       1.9
          86.0       1.0
          95.0       1.0
          99.5       1.0
         108.0       4.9
         121.0       1.4
         121.5       4.7
         122.0       1.0
         127.0       1.2
         171.0       2.4
         198.0       3.5
         199.0       2.6
         209.0       1.5
         210.0       3.3
         211.0       1.8
         241.0       1.0
         242.0       8.1
         243.0     100.0
         244.0      16.8
         245.0      10.1
         246.0       1.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H9 N S2 0.009 g : 0.5 ml CDCl3
    3,5-di(2-thienyl)pyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.775 B 8.014 C 7.421 D 7.395 E 7.150 J(A,B)=2.1HZ J(C,D)=1.1HZ J(C,E)=3.7HZ J(D,E)=5.1HZ

         Hz     ppm     Int.
    

       3507.81   8.778    421
       3506.47   8.774    421
       3205.08   8.020    317
       3203.00   8.015    562
       3200.81   8.010    285
       2968.26   7.428    750
       2967.16   7.425    915
       2964.60   7.418    799
       2963.50   7.416    965
       2958.86   7.404    898
       2957.64   7.401    753
       2953.74   7.391   1000
       2952.64   7.389    810
       2861.57   7.161    940
       2858.03   7.152    877
       2856.45   7.148    844
       2852.91   7.139    781
    

in CDCl3



liquid film



3,5-dithiophen-2-ylpyridine(117823-19-5) IR1 Atlas of Related Products

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