1H,1H,2H,2H-Perfluorohexyl iodide(2043-55-2) IR1
Product Name1H,1H,2H,2H-Perfluorohexyl iodide
CAS2043-55-2
Molecular FormulaC6H4F9I
Molecular Weight373.99
InChIInChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChIKey CXHFIVFPHDGZIS-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
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MassMS-IW-9145 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane C6H4F9I (Mass of molecular ion: 374)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
20.0 1.2 26.0 3.8 27.0 38.1 28.0 10.9 31.0 7.5 32.0 1.3 33.0 12.6 38.0 1.1 39.0 5.7 45.0 1.3 47.0 9.2 50.0 1.5 51.0 70.6 56.0 1.3 57.0 5.9 59.0 8.0 64.0 2.1 65.0 45.6 66.0 1.0 69.0 100.0 70.0 1.3 75.0 5.3 76.0 1.5 77.0 50.5 78.0 7.0 83.0 1.6 89.0 4.8 93.0 1.6 95.0 19.3 100.0 6.7 101.0 1.0 107.0 1.3 108.0 6.5 109.0 8.9 113.0 17.9 115.0 7.6 119.0 24.7 127.0 29.2 128.0 34.2 131.0 8.1 133.0 1.7 137.0 2.3 139.0 3.8 140.0 1.0 141.0 55.4 145.0 10.5 151.0 1.1 154.0 2.7 155.0 19.6 157.0 12.8 158.0 1.2 159.0 3.8 163.0 18.5 169.0 5.1 175.0 1.6 177.0 31.2 178.0 1.7 181.0 9.0 195.0 2.5 203.0 2.3 205.0 5.4 207.0 14.6 208.0 2.7 227.0 75.2 228.0 5.0 247.0 2.6 374.0 63.5 375.0 4.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 F9 I 0.05 ml : 0.5 ml CDCl3 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane 
Assign. Shift(ppm)
A 3.245 B 2.720
Hz ppm Int.1306.27 3.269 880 1297.85 3.248 730 1295.90 3.243 534 1289.31 3.227 1000 1110.96 2.780 164 1109.62 2.777 120 1104.25 2.764 123 1102.66 2.760 168 1093.63 2.737 388 1085.21 2.716 310 1076.05 2.693 368 1070.68 2.680 70 1069.21 2.676 126 1067.75 2.672 168 1062.62 2.659 37 1062.26 2.658 38 1060.42 2.654 93 1058.96 2.650 139 1057.62 2.647 87
in CDCl3
liquid film
