1-METHYL-4-PROPYLBENZENE(1074-55-1) IR1
Product Name1-METHYL-4-PROPYLBENZENE
CAS1074-55-1
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey JXFVMNFKABWTHD-UHFFFAOYSA-N
SmilesC1(C)=CC=C(CCC)C=C1
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MassMS-NW-3995 p-propyltoluene C10H14 (Mass of molecular ion: 134)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.3 39.0 2.8 41.0 1.5 51.0 2.2 53.0 1.1 63.0 1.4 65.0 2.2 77.0 6.3 78.0 1.9 79.0 4.9 91.0 5.5 92.0 1.8 103.0 3.4 104.0 2.0 105.0 100.0 106.0 9.1 115.0 1.3 117.0 1.3 119.0 1.3 134.0 23.2 135.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 0.04 ml : 0.5 ml CDCl3 p-propyltoluene 
Assign. Shift(ppm)
A 7.06 B 2.528 C 2.302 D 1.61 E 0.93
Hz ppm Int.632.31 7.061 1000 234.81 2.622 55 227.88 2.545 105 225.88 2.523 46 219.88 2.456 87 206.19 2.303 558 155.63 1.738 44 149.56 1.670 43 148.69 1.661 43 148.00 1.653 52 147.19 1.644 39 142.25 1.589 45 140.44 1.569 60 134.06 1.497 26 133.19 1.488 49 89.81 1.003 147 82.88 0.926 248 75.44 0.843 83 74.38 0.831 44
in CDCl3
liquid film
4880 A,200 M,liquid
