117823-19-5

(117823-19-5)红外图谱(IR1)

产品名称:

CAS:117823-19-5

分子式:C13H9NS2

分子量: 243.35

InChI:InChI=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

Smiles:C1=NC=C(C2SC=CC=2)C=C1C1SC=CC=1

¹HNMR

¹³CNMR

IR1

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

    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

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