3-N-OCTADECYLTHIOPHENE(104934-54-5) IR1

Product Name3-N-OCTADECYLTHIOPHENE

CAS 104934-54-5

Molecular FormulaC22H40S

Molecular Weight336.62

InChIInChI=1S/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3

InChIKey ARFJPHXJBIEWSZ-UHFFFAOYSA-N

SmilesC1SC=CC=1CCCCCCCCCCCCCCCCCC

Request For Quotation

Mass

MS-IW-5660          
3-octadecylthiophene
C22H40S             (Mass of molecular ion:    336)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      29.0       1.7
      41.0       4.1
      43.0       6.2
      55.0       3.2
      57.0       3.0
      69.0       1.2
      85.0       1.8
      97.0      24.8
      98.0     100.0
      99.0       8.5
     100.0       5.0
     111.0       8.5
     112.0       1.2
     139.0       2.0
     140.0       2.3
     336.0      16.7
     337.0       4.3
     338.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₄₀ S	0.035 g : 0.5 ml CDCl₃
3-octadecylthiophene

    Assign.     Shift(ppm)

      A             7.224
      B             6.929
      C             6.910
      D             2.615
      E             1.613
      F             1.31
      G             1.26
      J             0.880

     Hz     ppm     Int.

   2891.11   7.235     36
   2888.18   7.227     39
   2886.23   7.222     40
   2883.30   7.215     40
   2772.34   6.937     37
   2771.12   6.934     46
   2767.46   6.925     36
   2766.24   6.922     45
   2763.18   6.915     42
   2762.08   6.912     39
   2761.23   6.910     35
   2760.25   6.907     42
   2759.28   6.905     33
   1052.98   2.635     38
   1045.41   2.616     55
   1037.48   2.596     41
    524.41   1.313     60
    520.26   1.302     82
    501.59   1.256   1000
    358.40   0.897     51
    351.68   0.880    156
    344.73   0.863     61

in CDCl3