2-Methylbenzylamine(89-93-0) Raman
Product Name2-Methylbenzylamine
CAS89-93-0
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChIKey CJAAPVQEZPAQNI-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC=C1C
-
MassMS-NW-6161 o-methylbenzylamine C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 27.0 2.4 28.0 10.1 29.0 1.8 30.0 17.9 38.0 1.3 39.0 6.4 41.0 1.5 50.0 2.1 51.0 4.8 52.0 1.7 53.0 1.6 58.5 1.1 59.5 2.9 62.0 1.3 63.0 3.4 65.0 5.7 77.0 12.0 78.0 9.0 79.0 8.4 80.0 1.0 89.0 2.4 90.0 1.6 91.0 14.0 92.0 3.5 93.0 12.0 94.0 1.1 102.0 1.0 103.0 8.8 104.0 100.0 105.0 16.0 106.0 12.8 107.0 1.0 116.0 1.1 117.0 2.7 118.0 2.8 119.0 1.2 120.0 14.8 121.0 6.5
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H11 N 0.04 ml : 0.5 ml CDCl3 o-methylbenzylamine 
Assign. Shift(ppm)
A *1 7.27 B *2 7.19 C *2 7.15 D *1 7.15 E 3.833 F 2.321 G 1.56
Hz ppm Int.656.25 7.328 23 655.25 7.317 37 654.88 7.313 38 652.75 7.289 47 652.13 7.282 42 650.81 7.267 63 647.75 7.233 171 647.00 7.225 81 645.63 7.209 30 643.25 7.183 223 641.44 7.163 441 638.50 7.130 417 636.44 7.107 42 343.38 3.835 374 207.94 2.322 1000 139.94 1.563 188
-
1H NMR 399.65 MHz C8 H11 N 0.05 ml : 0.5 ml CDCl3 o-methylbenzylamine Assign. Shift(ppm)
A *1 7.24 B *2 7.16 C *1 7.12 D *1 7.11 E 3.773 F 2.278 G 1.81 A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM. 90MHZ : HSP-03-686
Hz ppm Int.2898.56 7.253 104 2896.85 7.249 120 2890.14 7.232 166 2868.41 7.178 64 2865.36 7.170 97 2861.21 7.160 108 2859.99 7.157 160 2857.42 7.150 136 2855.47 7.145 140 2853.64 7.141 122 2852.17 7.137 135 2848.14 7.127 260 2846.56 7.123 294 2844.73 7.119 255 2842.16 7.112 306 2840.82 7.109 252 2837.52 7.101 57 1507.81 3.773 484 910.52 2.279 1000 722.17 1.808 140
in CDCl3
liquid film
