1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate(135540-11-3) IR1
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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MassMS-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
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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
KBr disc
nujol mull
