Product Name3-UNDECYLTHIOPHENE

CAS

Molecular FormulaC15H26S

Molecular Weight238.43194

InChIInChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3

InChIKey STIIRMZYURVVGK-UHFFFAOYSA-N

SmilesC1SC=CC=1CCCCCCCCCCC

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1795          
3-undecylthiophene
C15H26S             (Mass of molecular ion:    238)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.6
      29.0       3.1
      39.0       1.9
      41.0       6.5
      43.0       4.6
      45.0       3.2
      53.0       2.4
      55.0       2.9
      57.0       1.4
      67.0       1.2
      77.0       1.2
      84.0       1.2
      85.0       3.3
      97.0      44.3
      98.0     100.0
      99.0       9.4
     100.0       5.0
     110.0       1.4
     111.0      15.3
     112.0       2.0
     125.0       1.0
     139.0       1.9
     140.0       1.6
     238.0      12.1
     239.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₆ S	0.05 ml : 0.5 ml CDCl₃
3-undecylthiophene

    Assign.     Shift(ppm)

      A             7.195
      B             6.910
      C             6.885
      D             2.604
      E             1.608
      F             1.30
      G             1.26
      J             0.880

     Hz     ppm     Int.

   2879.64   7.206    126
   2876.71   7.199    137
   2874.76   7.194    140
   2871.83   7.186    139
   2764.89   6.919    137
   2763.67   6.916    157
   2760.01   6.907    130
   2758.79   6.904    147
   2754.52   6.893     82
   2753.66   6.891    146
   2752.44   6.888    132
   2751.59   6.886    121
   2750.73   6.883    145
   2749.76   6.881    114
   1048.83   2.625    131
   1041.14   2.606    184
   1033.33   2.586    140
    648.93   1.624     67
    641.60   1.606     96
    634.16   1.587     75
    519.41   1.300    298
    503.66   1.261   1000
    358.52   0.898    177
    351.81   0.881    483
    344.73   0.863    206

in CDCl3

liquid film

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