Tetrapropylammonium bromide(1941-30-6) IR1
Product NameTetrapropylammonium bromide
CAS1941-30-6
Molecular FormulaC12H28BrN
Molecular Weight266.27
InChIInChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKey BGQMOFGZRJUORO-UHFFFAOYSA-M
Smiles[N+](CCC)(CCC)(CCC)CCC.[Br-]
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MassMS-NW-8191 tetrapropylammonium bromide C12H28BrN (Mass of molecular ion: 265)
Source Temperature: 200 °C Sample Temperature: 240 °C Direct, 75 eV
27.0 12.2 28.0 2.8 29.0 2.0 30.0 17.7 39.0 4.9 40.0 1.0 41.0 20.2 42.0 8.5 43.0 47.2 44.0 4.6 56.0 1.7 58.0 3.3 70.0 2.8 72.0 20.0 80.0 1.0 84.0 2.1 86.0 10.7 100.0 1.3 112.0 1.5 114.0 100.0 115.0 8.2 122.0 3.8 124.0 3.8 142.0 1.4 143.0 7.6 144.0 1.0 186.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H28 Br N 0.039 g : 0.5 ml CDCl3 tetrapropylammonium bromide 
Assign. Shift(ppm)
A 3.384 B 1.790 C 1.060
Hz ppm Int.
1361.45 3.407 265 1356.45 3.395 166 1352.78 3.385 230 1348.51 3.375 170 1344.24 3.364 293 735.35 1.840 32 728.03 1.822 120 720.58 1.804 177 716.06 1.792 146 711.30 1.780 186 703.74 1.761 137 696.41 1.743 46 430.79 1.078 515 423.58 1.060 1000 416.14 1.042 493
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1H NMR 89.56 MHz C12 H28 Br N 0.048 g : 0.5 ml CDCl3 tetrapropylammonium bromide Assign. Shift(ppm)
A 3.38 B 1.78 C 1.07
Hz ppm Int.
312.13 3.486 240 307.06 3.429 158 303.81 3.393 204 299.19 3.341 155 295.19 3.297 307 172.69 1.929 103 170.81 1.908 52 165.44 1.848 152 163.38 1.825 110 162.63 1.816 110 160.81 1.796 122 159.63 1.783 111 156.44 1.747 151 148.56 1.659 108 141.69 1.583 43 106.50 1.190 33 101.69 1.136 536 94.69 1.058 1000 87.31 0.975 313 83.75 0.936 31 83.25 0.930 32
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
