1,3-Bis(aminomethyl)benzene(1477-55-0) 13C NMR
Product Name1,3-Bis(aminomethyl)benzene
CAS1477-55-0
Molecular FormulaC8H12N2
Molecular Weight136.19
InChIInChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKey FDLQZKYLHJJBHD-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC(CN)=C1
-
MassMS-NW-1048 alpha,alpha'-diamino-m-xylene C8H12N2 (Mass of molecular ion: 136)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
17.0 1.1 18.0 5.4 27.0 1.6 28.0 20.4 29.0 2.6 30.0 35.2 38.0 1.0 39.0 4.5 41.0 1.6 42.0 1.2 44.0 2.4 45.0 13.4 50.0 2.8 51.0 5.8 52.0 2.6 53.0 1.6 54.0 1.6 62.0 1.1 63.0 3.1 64.0 1.0 65.0 4.6 66.0 1.3 67.0 1.8 74.0 1.0 75.0 1.0 76.0 1.4 77.0 10.5 78.0 3.8 79.0 12.8 80.0 2.5 89.0 4.6 90.0 11.3 91.0 34.8 92.0 17.6 93.0 3.1 103.0 1.6 104.0 4.6 105.0 2.2 106.0 100.0 107.0 10.4 108.0 2.9 117.0 5.6 118.0 54.7 119.0 33.8 120.0 7.3 133.0 2.0 134.0 1.3 135.0 9.4 136.0 4.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H12 N2 0.04 ml : 0.5 ml CDCl3 alpha,alpha'-diamino-m-xylene 
Assign. Shift(ppm)
A 7.43 to 7.08 B 3.865 C 1.51
Hz ppm Int.653.44 7.297 85 653.06 7.292 84 651.75 7.278 104 651.19 7.271 99 649.31 7.251 213 648.25 7.239 73 646.63 7.221 185 646.31 7.217 185 643.69 7.188 42 642.38 7.173 35 641.81 7.167 38 641.25 7.161 33 640.63 7.154 33 640.13 7.148 31 346.19 3.866 725 135.50 1.513 1000
in CDCl3
CCl4 solution
liquid film
