2044-56-6

十二烷基硫酸锂(2044-56-6)红外图谱(IR2)

产品名称:十二烷基硫酸锂

CAS:2044-56-6

分子式:C12H25LiO4S

分子量: 272.33

InChI:InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1

InChIKey: YFVGRULMIQXYNE-UHFFFAOYSA-M

Smiles:C(COS([O-])(=O)=O)CCCCCCCCCC.[Li+]

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₂ H₂₅ Li O₄ S	0.041 g : 0.5 ml D₂O
lithium dodecyl sulfate

    Assign.     Shift(ppm)

      A             4.031
      B             1.688
      C          1.41 to 1.350
      D             1.31
      E             0.895

     Hz     ppm     Int.

   1617.92   4.049    200
   1614.87   4.041     45
   1614.62   4.041     45
   1611.08   4.032    425
   1607.06   4.022     43
   1604.25   4.015    208
    688.60   1.724     31
    688.23   1.723     31
    687.74   1.721     31
    687.13   1.720     31
    686.40   1.718     30
    685.91   1.717     32
    685.30   1.715     34
    684.20   1.712     44
    681.64   1.706     88
    681.27   1.705     87
    681.03   1.705     87
    679.57   1.701     78
    678.96   1.699     77
    678.59   1.698     75
    678.34   1.698     75
    674.93   1.689    122
    674.44   1.688    126
    674.19   1.687    126
    673.83   1.687    126
    670.29   1.678     72
    669.56   1.676     74
    666.99   1.669    103
    660.28   1.653     35
    659.67   1.651     34
    569.09   1.424     30
    567.75   1.421     35
    566.65   1.418     39
    566.41   1.418     39
    565.43   1.415     45
    562.50   1.408     69
    560.30   1.402     85
    559.94   1.402     85
    559.57   1.401     87
    559.08   1.399     87
    555.54   1.391    117
    554.81   1.389    123
    551.51   1.380    153
    550.90   1.379    159
    550.29   1.377    163
    549.80   1.376    163
    542.24   1.357    274
    541.75   1.356    273
    541.14   1.355    272
    540.41   1.353    270
    539.79   1.351    271
    539.43   1.350    271
    524.54   1.313   1000
    524.05   1.312   1000
    504.88   1.264     31
    363.65   0.910    179
    360.60   0.903    146
    357.18   0.894    561
    350.22   0.877    189

KBr disc