6-Isopropyl-o-toluidine(5266-85-3) MS
Product Name6-Isopropyl-o-toluidine
CAS5266-85-3
Molecular FormulaC10H15N
Molecular Weight149.23
InChIInChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
InChIKey DDTKYVBFPULMGN-UHFFFAOYSA-N
SmilesC1(N)=C(C(C)C)C=CC=C1C
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MassMS-NW-2192 2-isopropyl-6-methylaniline C10H15N (Mass of molecular ion: 149)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 1.9 28.0 1.4 39.0 3.5 41.0 1.8 42.0 1.4 51.0 2.2 52.0 1.4 53.0 1.6 59.5 1.0 63.0 1.2 65.0 3.0 65.5 1.1 66.0 1.3 67.0 2.0 77.0 4.1 78.0 1.3 79.0 1.8 91.0 6.5 92.0 1.2 93.0 1.7 104.0 1.0 105.0 1.2 106.0 3.4 107.0 2.3 108.0 1.5 115.0 5.9 116.0 2.1 117.0 5.2 118.0 2.4 119.0 12.3 120.0 8.5 130.0 1.3 132.0 3.6 133.0 3.0 134.0 100.0 135.0 10.4 148.0 1.6 149.0 36.9 150.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H15 N 0.04 ml : 0.5 ml CDCl3 2-isopropyl-6-methylaniline 
Assign. Shift(ppm)
A 7.04 B 6.95 C 6.727 D 3.5 E 2.92 F 2.181 G 1.263 J(A,C)=7.8HZ J(B,C)=15.6HZ J(B,D)=6.7HZ J(C,D)=-1.4HZ
Hz ppm Int.635.00 7.091 45 633.25 7.071 47 625.75 6.987 121 618.75 6.909 100 618.19 6.903 99 607.56 6.784 117 600.19 6.702 110 592.75 6.619 35 315.44 3.523 47 267.44 2.987 41 260.75 2.912 57 253.81 2.834 47 195.31 2.181 669 116.25 1.299 1000 109.50 1.223 890
in CDCl3
CCl4 solution
liquid film
