1-METHYL-3-PROPYLBENZENE(1074-43-7) MS
Product Name1-METHYL-3-PROPYLBENZENE
CAS1074-43-7
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey QUEBYVKXYIKVSO-UHFFFAOYSA-N
SmilesC1(C)=CC=CC(CCC)=C1
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MassMS-NW-3635 m-propyltoluene C10H14 (Mass of molecular ion: 134)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.5 39.0 4.6 41.0 2.4 50.0 1.0 51.0 3.2 52.0 1.0 53.0 1.4 63.0 2.1 65.0 3.3 77.0 8.1 78.0 2.6 79.0 6.6 89.0 1.0 91.0 8.7 92.0 5.7 103.0 4.2 104.0 2.1 105.0 100.0 106.0 13.5 115.0 1.9 117.0 1.8 119.0 3.8 134.0 26.6 135.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 0.04 ml : 0.5 ml CDCl3 m-propyltoluene 
Assign. Shift(ppm)
A 7.15 B 7.00 C 7.04 to 6.87 D 7.04 to 6.87 E 2.533 F 2.314 G 1.62 J 0.94
Hz ppm Int.649.38 7.251 30 644.19 7.193 35 644.06 7.192 35 641.13 7.159 56 640.38 7.151 86 639.75 7.144 98 637.75 7.121 32 634.19 7.082 281 632.31 7.061 34 629.69 7.031 31 626.56 6.996 495 623.75 6.965 107 623.06 6.957 98 622.25 6.948 94 621.56 6.941 88 620.94 6.934 81 620.44 6.928 84 619.81 6.921 83 619.19 6.914 82 618.75 6.909 70 617.38 6.894 39 616.81 6.888 35 235.25 2.627 128 228.19 2.548 238 226.25 2.527 107 226.13 2.525 107 220.13 2.458 196 207.56 2.318 1000 207.06 2.312 968 157.75 1.762 49 156.75 1.751 123 155.63 1.738 40 150.69 1.683 109 149.88 1.674 111 149.06 1.665 135 148.31 1.656 110 144.50 1.614 38 143.38 1.601 121 141.56 1.581 168 140.94 1.574 117 136.69 1.527 47 135.19 1.510 62 134.38 1.501 128 128.63 1.437 33 127.88 1.428 47 127.31 1.422 42 91.19 1.019 198 90.44 1.010 395 89.81 1.003 256 83.50 0.933 613 76.81 0.858 124 76.00 0.849 235 75.00 0.838 141
in CDCl3
liquid film
4880 A,200 M,liquid
