1,4-Bis(aminomethyl)benzene(539-48-0) MS
Product Name1,4-Bis(aminomethyl)benzene
CAS539-48-0
Molecular FormulaC8H12N2
Molecular Weight136.19
InChIInChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
InChIKey ISKQADXMHQSTHK-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(CN)C=C1
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MassMS-NW-1417 p-xylene-alpha,alpha'-diamine C8H12N2 (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 2.0 18.0 9.8 27.0 1.5 28.0 20.6 29.0 2.3 30.0 27.4 39.0 4.0 41.0 1.5 42.0 1.0 44.0 1.0 45.0 10.8 50.0 2.3 51.0 4.6 52.0 2.1 53.0 1.6 54.0 1.4 59.5 1.5 63.0 2.4 65.0 3.9 66.0 1.3 67.0 2.5 76.0 1.0 77.0 10.0 78.0 3.4 79.0 15.1 80.0 2.1 89.0 3.6 90.0 6.6 91.0 28.1 92.0 14.6 93.0 4.8 103.0 1.2 104.0 4.1 105.0 2.1 106.0 100.0 107.0 9.3 108.0 2.4 117.0 2.2 118.0 24.2 119.0 27.4 120.0 5.1 133.0 1.5 134.0 2.0 135.0 16.4 136.0 6.9
parameter in CDCl3
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1H NMR 300 MHz C8 H12 N2 0.044 g : 0.5 ml CDCl3 p-xylene-alpha,alpha'-diamine 
Parameter ppm Hz
D(A) 7.272 D(B) 3.840 D(C) 1.42
Hz ppm Int.2181.59 7.272 992 1152.03 3.840 1000 426.89 1.423 782
in CDCl3
KBr disc
nujol mull
