2404-87-7

3-苯基噻吩(2404-87-7)紅外圖譜(IR2)

產品名稱:3-苯基噻吩

CAS:2404-87-7

分子式:C10H8S

分子量: 160.24

InChI:InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

InChIKey: ZDQZVKVIYAPRON-UHFFFAOYSA-N

Smiles:C1SC=CC=1C1=CC=CC=C1

Mass

MS-IW-4026          
3-phenylthiophene
C10H8S              (Mass of molecular ion:    160)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.7
      45.0       2.1
      50.0       1.0
      51.0       2.0
      58.0       1.2
      63.0       2.7
      65.0       1.3
      67.0       3.3
      69.0       1.1
      75.0       1.2
      76.0       1.5
      77.0       2.0
      79.0       3.4
      80.0       4.6
      89.0       4.4
      90.0       1.0
     102.0       2.9
     114.0       2.0
     115.0      29.3
     116.0      10.1
     121.0       2.3
     127.0       1.9
     128.0      10.3
     129.0       1.1
     134.0       3.2
     153.0       1.5
     154.0       3.7
     158.0       2.4
     159.0       8.2
     160.0     100.0
     161.0      12.1
     162.0       5.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₈ S	0.034 g : 0.5 ml CDCl₃
3-phenylthiophene

    Assign.     Shift(ppm)

      A             7.581
      B             7.423
      C             7.38
      D             7.37
      E             7.355
      F             7.276
     
     J(B,D)=1.6HZ
     J(B,E)=2.8HZ
     J(D,E)=5.0HZ

     Hz     ppm     Int.

   3040.04   7.607     40
   3034.91   7.594    577
   3033.57   7.591    641
   3033.20   7.590    640
   3031.62   7.586    222
   3027.47   7.576    431
   3026.49   7.573    735
   3025.88   7.572    670
   3025.27   7.570    723
   3023.32   7.565    118
   2976.56   7.448     31
   2974.73   7.444     46
   2968.87   7.429    436
   2967.29   7.425    546
   2966.06   7.422    535
   2964.48   7.418    565
   2961.30   7.410     67
   2959.59   7.406     91
   2959.23   7.405     90
   2957.89   7.402    151
   2956.91   7.399    306
   2956.18   7.397    458
   2954.35   7.393    208
   2950.68   7.384    425
   2950.32   7.383    425
   2948.85   7.379   1000
   2945.68   7.371    868
   2944.09   7.367    726
   2941.89   7.362    968
   2939.09   7.355    714
   2936.89   7.349    299
   2934.08   7.342    254
   2931.64   7.336     65
   2928.96   7.329     50
   2927.37   7.325     35
   2922.12   7.312     51
   2921.02   7.309     54
   2919.43   7.305     62
   2915.16   7.295    177
   2913.94   7.292    319
   2912.60   7.288    188
   2908.45   7.278    145
   2906.49   7.273    402
   2904.54   7.268    123
   2900.39   7.258     95
   2899.17   7.255    162
   2897.95   7.252     94

in CDCl3