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返回ChemicalBook首页>CAS数据库列表>35925-48-5更多图谱> tetrapropylammonium trifluoromethanesulphonate(35925-48-5)核磁图(1HNMR)

35925-48-5

tetrapropylammonium trifluoromethanesulphonate(35925-48-5)核磁图(1HNMR)

分子式:C13H28F3NO3S

分子量: 335.4265296

InChI:InChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1

InChIKey: IGVWFPZXBUTUCG-UHFFFAOYSA-M

Smiles:[N+](CCC)(CCC)(CCC)CCC.C(F)(F)(F)S([O-])(=O)=O

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    Mass

    MS-NW-7202          
    tetrapropylammonium trifluoromethanesulfonate
    C13H28F3NO3S        (Mass of molecular ion:    335)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.9
          27.0       4.1
          28.0       1.3
          30.0       6.3
          39.0       2.3
          41.0       8.6
          42.0       4.1
          43.0       9.2
          44.0       1.5
          56.0       1.2
          58.0       2.9
          64.0       1.3
          69.0       2.2
          70.0       2.3
          72.0       4.9
          84.0       1.3
          86.0       2.9
         100.0       1.4
         112.0       2.0
         114.0      34.2
         115.0       3.0
         142.0       7.6
         143.0       2.4
         144.0       2.8
         186.0     100.0
         187.0      13.5
    

400 MHz in DMSO-d6

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H28 F3 N O3 S 0.040 g : 0.5 ml DMSO-d6
    tetrapropylammonium trifluoromethanesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.134 B 1.616 C 0.900

         Hz     ppm     Int.
    

       1260.74   3.155    222
       1255.86   3.143    155
       1252.20   3.134    201
       1248.05   3.123    155
       1243.77   3.113    230
        666.02   1.667     28
        658.69   1.649    102
        651.12   1.630    159
        646.73   1.619    135
        642.21   1.607    159
        634.64   1.588    108
        627.44   1.570     34
        367.07   0.919    475
        359.86   0.901   1000
        352.54   0.883    427
    

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    1H NMR 89.56 MHz
    C13 H28 F3 N O3 S saturated in CDCl3
    tetrapropylammonium trifluoromethanesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.19 B 1.71 C 1.03

         Hz     ppm     Int.
    

        294.75   3.292    251
        289.81   3.236    179
        286.31   3.197    234
        281.81   3.147    185
        277.94   3.104    316
        159.88   1.786    232
        148.94   1.664    176
         98.81   1.104    576
         91.88   1.026   1000
         84.38   0.943    336
    

in DMSO-d6

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KBr disc

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nujol mull

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