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MassMS-IW-3622 benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate C28H34N2O3 (Mass of molecular ion: 446)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 1.0 28.0 4.4 29.0 2.4 30.0 1.4 39.0 1.2 42.0 1.3 50.0 2.0 51.0 4.0 56.0 4.5 57.0 1.4 58.0 1.8 65.0 1.4 72.0 2.6 77.0 11.2 78.0 1.5 79.0 1.2 84.0 1.5 86.0 8.3 91.0 5.8 103.0 2.2 104.0 1.1 105.0 18.0 106.0 1.9 112.0 1.9 119.0 1.5 120.0 2.7 121.0 1.5 122.0 11.1 132.0 1.8 147.0 1.2 148.0 5.6 176.0 100.0 177.0 13.5 231.0 7.4 232.0 1.3 233.0 8.9 234.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H34 N2 O3 0.046 g : 0.5 ml CDCl3 benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate 
Assign. Shift(ppm)
A 8.011 B 7.485 C 7.419 D 7.29 to 7.27 E 7.06 F 5.0 G 4.80 J *1 3.708 K *1 3.322 L 2.297 M 1.494
Hz ppm Int.3206.30 8.023 110 3204.71 8.019 129 3203.37 8.016 53 3202.51 8.014 45 3200.68 8.009 39 3198.61 8.004 98 3196.66 7.999 125 2998.66 7.504 97 2996.95 7.499 54 2992.31 7.488 121 2990.60 7.484 194 2984.86 7.469 53 2983.52 7.466 49 2971.44 7.436 100 2969.73 7.431 39 2966.19 7.422 45 2964.72 7.419 96 2962.89 7.414 57 2957.03 7.400 36 2920.90 7.309 40 2919.92 7.307 52 2917.11 7.300 36 2916.02 7.297 75 2914.06 7.292 218 2912.96 7.289 93 2911.99 7.287 116 2908.69 7.279 930 2906.37 7.273 126 2900.63 7.258 42 2897.83 7.251 32 2825.93 7.072 54 2822.51 7.063 269 2821.41 7.060 285 2818.48 7.053 46 2817.63 7.051 48 2816.89 7.049 38 1998.05 5.000 75 1919.31 4.803 140 1494.63 3.740 30 1487.43 3.722 39 1480.96 3.706 43 1473.75 3.688 36 1338.01 3.348 44 1330.81 3.330 55 1324.34 3.314 49 1317.14 3.296 40 918.21 2.298 1000 604.61 1.513 162 597.29 1.495 342 589.97 1.477 161
in CDCl3
KBr disc
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