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返回ChemicalBook首页>CAS数据库列表>14933-08-5更多图谱> 3-(N,N-二甲基十二烷基铵)丙烷磺酸盐(14933-08-5)Raman光谱

14933-08-5

3-(N,N-二甲基十二烷基铵)丙烷磺酸盐(14933-08-5)Raman光谱

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

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    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

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

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KBr disc

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nujol mull

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