BENZYLDIMETHYLPHENYLAMMONIUM CHLORIDE(3204-68-0) IR1
Product NameBENZYLDIMETHYLPHENYLAMMONIUM CHLORIDE
CAS3204-68-0
Molecular FormulaC15H18ClN
Molecular Weight247.76
InChIInChI=1S/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
InChIKey QLRKASHXFNIPLZ-UHFFFAOYSA-M
SmilesC1(=CC=CC=C1)C[N+](C)(C)C1=CC=CC=C1.[Cl-]
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MassMS-IW-9859 benzyldimethylphenylammonium chloride C15H18ClN (Mass of molecular ion: 247)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.0 27.0 1.8 28.0 9.7 36.0 5.0 37.0 1.0 38.0 3.4 39.0 7.7 41.0 1.6 42.0 5.9 43.0 1.6 44.0 3.5 45.0 3.2 45.5 1.0 50.0 6.1 51.0 10.5 52.0 4.2 60.0 2.5 60.5 5.2 61.0 1.5 62.0 2.5 63.0 6.8 64.0 2.3 65.0 11.7 66.0 1.0 74.0 1.3 75.0 1.1 76.0 1.4 77.0 19.5 78.0 5.8 79.0 4.0 89.0 4.6 90.0 2.3 91.0 92.7 92.0 11.7 93.0 2.4 94.0 1.0 103.0 3.5 104.0 9.8 105.0 12.1 106.0 3.6 118.0 4.1 119.0 1.8 120.0 100.0 121.0 69.5 122.0 6.1 125.0 2.5 126.0 19.6 127.0 2.4 128.0 6.4 129.0 1.0 196.0 1.5 197.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H18 Cl N 0.040 g : 0.5 ml CDCl3 benzyldimethylphenylammonium chloride 
Assign. Shift(ppm)
A 7.863 B 7.526 C 7.459 D 7.251 E 7.114 F 7.075 G 5.573 J 3.930
Hz ppm Int.3148.07 7.878 132 3146.97 7.875 174 3140.50 7.859 104 3139.16 7.855 181 3138.31 7.853 182 3016.72 7.549 68 3015.63 7.546 89 3013.79 7.542 41 3011.72 7.536 35 3008.54 7.528 182 3000.24 7.508 138 2986.82 7.474 106 2981.45 7.461 40 2979.61 7.456 138 2972.17 7.437 40 2906.37 7.273 49 2904.79 7.269 32 2901.12 7.260 41 2899.05 7.254 107 2897.22 7.250 47 2893.43 7.240 45 2891.85 7.236 80 2890.38 7.233 47 2851.81 7.136 104 2850.10 7.132 55 2843.75 7.116 231 2838.50 7.103 56 2836.30 7.097 217 2830.44 7.083 222 2829.10 7.079 257 2824.10 7.067 47 2822.27 7.062 118 2820.68 7.058 86 2227.42 5.574 404 1570.80 3.931 1000
in CDCl3
KBr disc
nujol mull
