2-AMINOBENZYLAMINE(4403-69-4) MS
Product Name2-AMINOBENZYLAMINE
CAS4403-69-4
Molecular FormulaC7H10N2
Molecular Weight122.17
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,8-9H2
InChIKey GVOYKJPMUUJXBS-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC=C1N
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MassMS-KW-0559 2-aminobenzylamine C7H10N2 (Mass of molecular ion: 122)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.6 27.0 2.2 28.0 11.6 29.0 1.0 30.0 12.0 37.0 1.0 38.0 2.6 39.0 8.9 40.0 1.8 41.0 3.5 42.0 1.4 50.0 3.5 51.0 9.6 52.0 7.2 53.0 2.8 54.0 2.3 60.0 1.9 60.5 3.2 61.0 5.2 62.0 1.5 63.0 3.5 64.0 2.4 65.0 10.4 66.0 7.9 67.0 2.8 74.0 1.0 75.0 1.3 76.0 3.6 77.0 29.5 78.0 41.5 79.0 9.1 80.0 1.7 91.0 2.2 92.0 4.8 93.0 15.7 94.0 29.0 95.0 2.2 102.0 1.1 103.0 2.4 104.0 82.4 105.0 56.2 106.0 33.8 107.0 3.1 118.0 2.2 119.0 2.5 120.0 2.2 121.0 39.5 122.0 100.0 123.0 8.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7H10N2 0.037 g : 0.5 ml CDCl3 2-aminobenzylamine 
Assign. Shift(ppm)
A 7.072 B 7.023 C 6.688 D 6.649 E 3.851
Hz ppm Int.2835.94 7.094 165 2834.36 7.090 186 2828.25 7.075 279 2826.91 7.072 322 2820.81 7.056 188 2819.22 7.052 223 2812.63 7.036 251 2812.14 7.035 268 2811.04 7.032 244 2810.55 7.031 225 2805.18 7.017 281 2804.69 7.016 299 2804.20 7.015 253 2803.59 7.013 258 2803.11 7.012 237 2684.58 6.716 29 2681.04 6.707 232 2679.81 6.704 265 2677.25 6.697 49 2673.59 6.688 406 2672.49 6.685 455 2666.26 6.670 209 2665.04 6.667 242 2661.99 6.659 371 2661.14 6.657 333 2654.18 6.640 335 2653.20 6.637 310 1776.62 4.444 14 1540.29 3.853 1000 1459.48 3.651 12 599.49 1.500 14
in CDCl3
KBr disk
Nujol
