3-己基噻吩(1693-86-3)紅外圖譜(IR1)

產(chǎn)品名稱:3-己基噻吩

CAS:1693-86-3

分子式:C10H16S

分子量: 168.3

InChI:InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3

InChIKey: JEDHEMYZURJGRQ-UHFFFAOYSA-N

Smiles:C1SC=CC=1CCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3658          
3-hexylthiophene
C10H16S             (Mass of molecular ion:    168)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       3.9
      29.0       3.5
      39.0       5.3
      41.0       5.7
      43.0       3.5
      45.0       9.8
      51.0       1.5
      53.0       5.7
      55.0       1.7
      58.0       1.2
      65.0       1.6
      67.0       1.7
      69.0       1.4
      71.0       1.4
      77.0       2.4
      79.0       1.0
      84.0       2.8
      85.0       4.8
      97.0      86.1
      98.0     100.0
      99.0      11.1
     100.0       5.1
     110.0       1.5
     111.0      20.6
     112.0       2.7
     113.0       1.3
     125.0       3.0
     126.0       1.7
     139.0       1.8
     168.0      25.5
     169.0       3.0
     170.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₆ S	0.05 ml : 0.5 ml CDCl₃
3-hexylthiophene

    Assign.     Shift(ppm)

      A             7.214
      B             6.924
      C             6.902
      D             2.614
      E             1.61
      F             1.33
      G             1.30
      J             0.88
     
     J(A,B)=4.9HZ
     J(A,C)=2.9HZ
     J(B,C)=1.2HZ
     J(C,D)=1.0HZ

     Hz     ppm     Int.

   2887.45   7.225    283
   2884.52   7.218    313
   2879.64   7.206    321
   2770.39   6.933    289
   2769.17   6.929    350
   2765.50   6.920    277
   2764.16   6.917    346
   2761.47   6.910    179
   2760.50   6.908    311
   2759.28   6.905    296
   2758.42   6.903    248
   2757.57   6.900    319
   2756.35   6.897    255
   2755.37   6.895    120
   1052.37   2.634    262
   1045.04   2.615    369
   1036.99   2.595    279
    658.57   1.648     52
    657.23   1.645     38
    651.00   1.629    125
    650.02   1.627    129
    643.68   1.611    212
    642.21   1.607    145
    636.11   1.592    164
    628.42   1.573     80
    546.26   1.367     51
    545.04   1.364     41
    539.43   1.350    117
    537.96   1.347    101
    534.18   1.337    159
    531.37   1.330    228
    523.19   1.310    546
    521.12   1.304    622
    519.65   1.301    556
    516.97   1.294    474
    514.65   1.288    211
    513.31   1.285    204
    509.77   1.276    141
    505.25   1.265     44
    504.88   1.264     44
    503.91   1.261     37
    501.83   1.256     32
    361.94   0.906     85
    359.74   0.901    261
    357.67   0.895    181
    356.45   0.892    210
    352.91   0.884   1000
    347.90   0.871    150
    345.83   0.866    268

in CDCl3