14933-09-6

3-磺丙基十四烷基二甲基铵(14933-09-6)Raman光谱

产品名称:3-磺丙基十四烷基二甲基铵

CAS:14933-09-6

分子式:C19H41NO3S

分子量: 363.6

InChI:InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3

InChIKey: BHATUINFZWUDIX-UHFFFAOYSA-N

Smiles:C(S([O-])(=O)=O)CC[N+](C)(C)CCCCCCCCCCCCCC

Mass

MS2014-05060CW      
3-dimethyl(tetradecyl)ammonio-1-propanesulfonate
C19H41NO3S          (Mass of molecular ion:    363)

   Source Temperature: 250 °C
   Sample Temperature: 300 °C
   Direct, 70 eV

      27.0       1.2
      28.0       4.5
      29.0       2.5
      30.0       1.1
      41.0       3.9
      42.0       2.1
      43.0       3.5
      44.0       1.8
      45.0       1.2
      55.0       2.6
      57.0       2.1
      58.0     100.0
      59.0       3.6
      69.0       1.0
      84.0       1.8
     180.0       2.4
     240.0       2.1
     241.0       2.7

400 MHz in D2O

400 MHz in DMSO-d6 at 50.C

¹H NMR	399.65 MHz
C₁₉ H₄₁ N O₃ S	0.031 g : 0.5 ml D₂O
3-dimethyl(tetradecyl)ammonio-1-propanesulfonate

    Assign.     Shift(ppm)

      A             3.48
      B             3.31
      C             3.115
      D             2.925
      E             2.19
      F             1.75
      G             1.36
      J             1.29
      K             0.868

     Hz     ppm     Int.

   1398.80   3.501     76
   1393.92   3.488     72
   1393.68   3.488     72
   1390.50   3.480     78
   1381.84   3.458     73
   1326.17   3.319     71
   1325.44   3.317     71
   1324.46   3.315     72
   1323.97   3.313     73
   1323.73   3.313     73
   1323.24   3.311     72
   1322.51   3.310     71
   1244.87   3.115   1000
   1176.15   2.943    107
   1169.19   2.926    214
   1162.23   2.909    107
    876.22   2.193     71
    699.46   1.751     62
    544.92   1.364    240
    515.14   1.289    865
    347.05   0.869    319

¹H NMR	399.65 MHz
C₁₉ H₄₁ N O₃ S	0.036 g : 0.5 ml DMSO-d₆ at 50 C
3-dimethyl(tetradecyl)ammonio-1-propanesulfonate

    Assign.     Shift(ppm)

      A             3.406
      B             3.227
      C             2.987
      D             2.47
      E             1.98
      F             1.66
      G             1.29
      J             1.25
      K             0.857
     
     SIGNAL D OVERLAPPED BY SOLVENT PEAKS

     Hz     ppm     Int.

   1193.97   2.988    862
   1003.66   2.512     41
   1000.24   2.503    250
    998.41   2.499    470
    996.58   2.494    635
    994.63   2.489    448
    992.80   2.485    280
    989.01   2.475     37
    988.53   2.474     37
    985.47   2.466    198
    978.64   2.449     94
    663.33   1.660     40
    500.00   1.252   1000
    488.89   1.224     72
    488.40   1.223     72
    481.81   1.206     32
    481.20   1.205     31
    480.83   1.204     30
    349.49   0.875     83
    345.70   0.866     55
    342.77   0.858    288
    335.69   0.840    103

D2O

in DMSO-d6