2,4,6-Trimethyl-1,3-phenylenediamine(3102-70-3) 13C NMR
Product Name2,4,6-Trimethyl-1,3-phenylenediamine
CAS3102-70-3
Molecular FormulaC9H14N2
Molecular Weight150.22
InChIInChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3
InChIKey ZVDSMYGTJDFNHN-UHFFFAOYSA-N
SmilesC1(N)=C(C)C=C(C)C(N)=C1C
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MassMS-NW-7894 2,4,6-trimethyl-m-phenylenediamine C9H14N2 (Mass of molecular ion: 150)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.8 27.0 1.6 28.0 3.8 30.0 1.3 39.0 3.7 41.0 2.2 42.0 3.0 51.0 1.8 52.0 2.2 53.0 2.5 54.0 3.0 61.0 3.4 63.0 1.1 65.0 3.5 66.0 2.7 67.0 4.9 67.5 1.3 73.0 1.4 74.0 4.4 74.5 1.0 75.0 7.6 77.0 4.1 78.0 1.3 79.0 2.6 80.0 1.4 91.0 3.2 92.0 1.1 93.0 2.1 94.0 2.4 95.0 1.0 103.0 1.6 104.0 1.2 105.0 3.2 106.0 5.1 107.0 5.9 108.0 3.5 109.0 1.8 110.0 1.0 117.0 3.4 118.0 5.9 119.0 1.3 120.0 3.0 121.0 2.0 122.0 7.3 123.0 1.1 130.0 1.8 131.0 1.2 132.0 8.8 133.0 8.3 134.0 5.7 135.0 37.2 136.0 3.6 147.0 1.2 148.0 1.7 149.0 63.3 150.0 100.0 151.0 10.6
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H14 N2 0.055 g : 0.5 ml DMSO-d6 2,4,6-trimethyl-m-phenylenediamine 
Assign. Shift(ppm)
A 6.43 B 4.06 C 1.94 D 1.866
Hz ppm Int.575.63 6.428 116 363.63 4.061 112 182.00 2.033 23 181.31 2.025 24 173.94 1.943 1000 167.25 1.868 577
in CDCl3
KBr disc
nujol mull
