Benzyltripropylammonium chloride(5197-87-5) 1H NMR
Product NameBenzyltripropylammonium chloride
CAS5197-87-5
Molecular FormulaC16H28ClN
Molecular Weight269.85
InChIInChI=1S/C16H28N.ClH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1
InChIKey YTRIOKYQEVFKGU-UHFFFAOYSA-M
Smiles[N+](CCC)(CCC)(CCC)CC1=CC=CC=C1.[Cl-]
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MassMS-NW-7060 benzyltripropylammonium chloride C16H28ClN (Mass of molecular ion: 269)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.1 18.0 2.9 27.0 9.1 28.0 3.0 29.0 2.1 30.0 20.5 37.0 1.2 38.0 2.3 39.0 9.6 40.0 1.3 41.0 21.7 42.0 11.3 43.0 18.7 44.0 4.5 45.0 1.5 50.0 2.9 51.0 3.6 52.0 1.3 54.0 1.1 56.0 2.6 57.0 1.4 58.0 4.2 61.0 1.2 62.0 2.8 63.0 5.9 64.0 1.8 65.0 9.3 70.0 3.6 72.0 20.0 73.0 1.2 84.0 2.7 86.0 11.4 89.0 4.7 90.0 2.5 91.0 82.6 92.0 7.7 100.0 1.4 112.0 1.8 114.0 100.0 115.0 8.7 125.0 2.0 126.0 15.9 127.0 1.6 128.0 5.1 142.0 1.4 143.0 8.3 144.0 1.1 162.0 6.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H28 Cl N 0.043 g : 0.5 ml CDCl3 benzyltripropylammonium chloride 
Assign. Shift(ppm)
A 7.61 to 7.39 B 4.932 C 3.29 D 1.86 E 1.01
Hz ppm Int.679.94 7.593 71 678.56 7.577 53 677.94 7.570 65 675.25 7.540 131 671.94 7.503 321 671.00 7.493 305 669.06 7.471 451 666.69 7.445 228 663.81 7.412 82 661.75 7.389 67 441.81 4.934 404 303.94 3.394 213 301.50 3.367 99 298.81 3.337 181 296.00 3.306 215 295.44 3.299 215 290.94 3.249 200 287.06 3.206 302 180.69 2.018 106 178.63 1.995 69 177.81 1.986 75 175.75 1.963 101 173.38 1.936 165 173.06 1.933 165 171.69 1.918 142 171.38 1.914 139 170.63 1.906 136 168.69 1.884 155 167.06 1.866 136 164.50 1.837 174 164.19 1.834 173 162.44 1.814 145 161.81 1.807 137 156.69 1.750 133 149.94 1.675 58 149.50 1.670 55 149.19 1.666 56 96.94 1.083 498 93.50 1.044 134 89.94 1.005 1000 85.63 0.957 147 82.63 0.923 368
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
