14933-08-5

3-(N,N-二甲基十二烷基銨)丙烷磺酸鹽(14933-08-5)Raman光譜

產(chǎn)品名稱:3-(N,N-二甲基十二烷基銨)丙烷磺酸鹽

CAS:14933-08-5

分子式:C17H37NO3S

分子量: 335.55

InChI:InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3

InChIKey: IZWSFJTYBVKZNK-UHFFFAOYSA-N

Smiles:C(CCS([O-])(=O)=O)[N+](C)(C)CCCCCCCCCCCC

Mass

MS-IW-7572          
3-(dodecyldimethylammonio)propanesulfonate
C17H37NO3S          (Mass of molecular ion:    213)

   Source Temperature: 190 °C
   Sample Temperature: 290 °C
   Direct, 75 eV

      17.0       1.7
      18.0       9.0
      26.0       1.6
      27.0       3.5
      28.0      14.1
      29.0       5.4
      30.0       3.7
      39.0       2.6
      40.0       1.1
      41.0       7.9
      42.0       6.0
      43.0       5.2
      44.0       3.1
      45.0       2.1
      46.0       1.0
      48.0       1.3
      55.0       5.5
      56.0       3.2
      57.0       5.8
      58.0     100.0
      59.0       5.3
      64.0       2.1
      69.0       2.5
      70.0       2.4
      71.0       1.5
      83.0       1.2
      84.0       6.2
     152.0       1.6
     212.0       1.5
     213.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₃₇ N O₃ S	0.041 g : 0.5 ml CDCl₃
3-(dodecyldimethylammonio)propanesulfonate

    Assign.     Shift(ppm)

      A             3.717
      B             3.304
      C             3.211
      D             2.87
      E             2.23
      F             1.72
      G             1.33
      J             1.26
      K             0.883

     Hz     ppm     Int.

   1494.02   3.739     44
   1489.14   3.727     45
   1486.08   3.719     49
   1485.72   3.718     49
   1482.42   3.710     46
   1477.78   3.698     49
   1330.44   3.330     45
   1325.07   3.316     44
   1322.14   3.309     48
   1319.21   3.301     45
   1318.60   3.300     45
   1313.84   3.288     51
   1283.20   3.211    635
   1153.32   2.886     50
   1146.61   2.870    106
   1139.77   2.852     59
    895.63   2.242     37
    893.68   2.237     34
    890.75   2.229     42
    887.70   2.222     46
    887.08   2.220     45
    884.77   2.214     43
    881.71   2.207     33
    879.76   2.202     37
    691.77   1.731     35
    690.55   1.728     38
    686.65   1.719     42
    686.04   1.717     42
    685.55   1.716     42
    685.18   1.715     42
    683.96   1.712     41
    683.47   1.711     41
    683.11   1.710     41
    682.37   1.708     40
    681.88   1.707     40
    532.23   1.332    155
    523.19   1.310     80
    521.00   1.304     90
    518.19   1.297     75
    513.43   1.285    101
    501.71   1.256   1000
    359.62   0.900    122
    353.03   0.884    392
    345.95   0.866    154

in CDCl3