872-55-9

2-乙基噻吩(872-55-9)核磁图(¹HNMR)

产品名称:2-乙基噻吩

CAS:872-55-9

分子式:C6H8S

分子量: 112.19

InChI:InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

InChIKey: JCCCMAAJYSNBPR-UHFFFAOYSA-N

Smiles:C1(CC)SC=CC=1

Mass

MS-NW-5486          
2-ethylthiophene
C6H8S               (Mass of molecular ion:    112)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.4
      37.0       1.0
      38.0       1.7
      39.0       7.8
      41.0       1.7
      45.0      13.5
      47.0       1.0
      50.0       1.9
      51.0       3.2
      52.0       1.0
      53.0       6.5
      57.0       1.6
      58.0       3.2
      63.0       1.4
      65.0       1.7
      67.0       2.0
      69.0       3.3
      70.0       1.0
      71.0       2.1
      77.0       4.0
      78.0       1.6
      84.0       1.9
      85.0       1.9
      97.0     100.0
      98.0       6.6
      99.0       4.7
     109.0       1.1
     111.0       8.2
     112.0      47.3
     113.0       4.0
     114.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ S	0.04 ml : 0.5 ml CDCl₃
2-ethylthiophene

    Assign.     Shift(ppm)

      A             7.076
      B             6.899
      C             6.778
      D             2.85
      E             1.305
     
     J(A,B)=5.1HZ. J(A,C)=1.3HZ. J(B,C)=3.4HZ.

     Hz     ppm     Int.

    637.50   7.119    153
    636.25   7.105    171
    632.44   7.062    272
    631.19   7.048    300
    621.81   6.943    154
    618.38   6.905    240
    616.69   6.886     75
    613.31   6.849    156
    609.75   6.809     84
    608.75   6.798    192
    607.44   6.783    171
    606.44   6.772    116
    605.38   6.760    107
    604.06   6.745     94
    603.06   6.734     45
    266.75   2.979     59
    259.50   2.898    198
    258.56   2.888    166
    251.94   2.814    220
    251.06   2.804    182
    244.25   2.728     77
    124.13   1.386    430
    116.81   1.305   1000
    109.13   1.219    339

in CDCl3