1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate(135540-11-3) IR2

Product Name1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate

CAS 135540-11-3

Molecular FormulaC9H16ClF6N2P

Molecular Weight332.66

InChIInChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1

InChIKey NHEGCUSBUWGOQM-UHFFFAOYSA-N

SmilesN1(CCCC1)/C(/Cl)=[N+]1/CCCC/1.[P-](F)(F)(F)(F)(F)F

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Mass

MS-IW-7236          
1-(chloro(1-pyrrolidinyl)methylene)pyrrolidinium hexafluorophosphate
C9H16ClF6N2P        (Mass of molecular ion:    332)

   Source Temperature: 180 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      15.0       2.4
      17.0       2.8
      18.0      14.1
      20.0       5.7
      26.0       1.7
      27.0       8.1
      28.0      18.6
      29.0       5.5
      30.0       8.1
      35.0       1.9
      36.0      20.4
      37.0       1.6
      38.0       7.2
      39.0      13.9
      40.0       8.3
      41.0      35.5
      42.0      17.7
      43.0      13.2
      44.0      15.0
      49.0       2.5
      50.0       1.5
      51.0       1.1
      53.0       3.0
      54.0       3.9
      55.0      73.5
      56.0      35.5
      57.0       1.7
      58.0       9.2
      60.0       1.0
      62.0       2.8
      64.0       1.3
      66.0       1.8
      67.0      16.0
      68.0      10.6
      69.0      19.4
      70.0     100.0
      71.0      11.1
      72.0       1.4
      76.0       3.7
      78.0       2.0
      81.0       1.0
      82.0       1.9
      83.0       1.7
      84.0       1.0
      85.0      43.3
      88.0       6.0
      89.0       1.2
      90.0       1.3
      91.0       1.7
      95.0       1.1
      96.0       2.2
      97.0       3.2
      98.0      63.2
      99.0      10.0
     104.0      49.8
     107.0      20.7
     112.0       1.0
     113.0       1.1
     117.0       1.2
     120.0       1.7
     125.0       8.0
     126.0       1.0
     129.0       3.2
     139.0       1.1
     140.0       5.4
     141.0       1.3
     145.0       2.9
     151.0       1.1
     153.0       1.1
     158.0       2.3
     160.0       1.0
     164.0       3.0
     168.0      34.3
     169.0       4.1
     171.0       1.3
     187.0       3.6
     189.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ Cl F₆ N₂ P	0.040 g : 0.5 ml CDCl₃
1-(chloro(1-pyrrolidinyl)methylene)pyrrolidinium hexafluorophosphate

    Assign.     Shift(ppm)

      A             3.892
      B             2.077

     Hz     ppm     Int.

   1562.03   3.909    338
   1555.62   3.893    833
   1549.21   3.877    367
    836.79   2.094    372
    832.94   2.085    493
    830.16   2.078   1000
    827.60   2.071    507
    823.54   2.061    385

in CDCl3