Tetraisoamylammonium iodide(5424-26-0) 1H NMR
Product NameTetraisoamylammonium iodide
CAS5424-26-0
Molecular FormulaC20H44IN
Molecular Weight425.47
InChIInChI=1S/C20H44N.HI/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;/h17-20H,9-16H2,1-8H3;1H/q+1;/p-1
InChIKey BMKCBSPIAGPRBW-UHFFFAOYSA-M
Smiles[N+](CCC(C)C)(CCC(C)C)(CCC(C)C)CCC(C)C.[I-]
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C20 H44 I N 0.044 g : 0.5 ml CDCl3 tetraisopentylammonium iodide 
Assign. Shift(ppm)
A 3.390 B 2.05 to 1.37 C 1.021 J(B,C)=6.0HZ.
Hz ppm Int.312.38 3.488 75 307.81 3.437 52 307.31 3.432 51 306.31 3.421 51 306.00 3.417 52 303.63 3.391 66 302.25 3.375 54 300.00 3.350 60 298.44 3.333 49 295.69 3.302 84 166.38 1.858 41 159.88 1.786 34 159.38 1.780 34 153.25 1.712 52 150.63 1.682 72 150.00 1.675 72 148.19 1.655 72 147.63 1.649 74 146.81 1.640 74 142.94 1.597 73 142.38 1.590 75 140.25 1.566 61 139.88 1.562 61 139.50 1.558 60 136.38 1.523 44 134.25 1.499 69 94.13 1.052 1000 88.13 0.985 812 82.56 0.922 31
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1H NMR 399.65 MHz C20 H44 I N 0.048 g : 0.5 ml CDCl3 tetraisopentylammonium iodide Assign. Shift(ppm)
A 3.394 B 1.764 C 1.568 D 1.018
Hz ppm Int.1364.75 3.415 79 1359.74 3.403 55 1356.20 3.394 71 1352.42 3.385 56 1347.53 3.372 80 712.16 1.782 40 705.69 1.766 53 699.10 1.750 46 692.50 1.733 25 637.57 1.596 48 630.98 1.579 64 625.73 1.566 57 620.61 1.553 64 614.01 1.537 37 423.22 1.059 23 422.00 1.056 21 421.63 1.055 21 421.26 1.055 21 410.16 1.027 1000 403.44 1.010 990
in CDCl3
KBr disc
nujol mull
