2-N-PROPYLTOLUENE(1074-17-5) Raman
Product Name2-N-PROPYLTOLUENE
CAS1074-17-5
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
InChIKey YQZBFMJOASEONC-UHFFFAOYSA-N
SmilesC1(C)=CC=CC=C1CCC
-
MassMS-NW-3642 o-propyltoluene C10H14 (Mass of molecular ion: 134)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.3 39.0 4.2 41.0 2.2 50.0 1.2 51.0 3.0 53.0 1.3 63.0 1.9 65.0 3.0 77.0 7.7 78.0 2.5 79.0 7.0 89.0 1.0 91.0 7.0 92.0 2.7 103.0 4.3 104.0 2.1 105.0 100.0 106.0 9.6 115.0 1.8 117.0 1.5 119.0 2.4 134.0 23.6 135.0 2.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H14 0.04 ml : 0.5 ml CDCl3 o-propyltoluene 
Assign. Shift(ppm)
A 7.10 B 2.56 C 2.294 D 1.59 E 0.98
Hz ppm Int.636.19 7.104 954 238.25 2.661 75 237.69 2.654 77 230.69 2.576 124 228.13 2.548 63 222.69 2.487 125 205.44 2.294 1000 154.63 1.727 66 148.69 1.661 52 147.75 1.650 53 147.00 1.642 68 146.00 1.631 42 142.00 1.586 35 141.44 1.580 54 139.31 1.556 78 138.38 1.546 52 132.94 1.485 32 131.94 1.474 75 131.81 1.472 75 94.94 1.061 101 94.19 1.052 197 93.44 1.044 127 87.19 0.974 303 80.56 0.900 59 79.75 0.891 110 78.63 0.878 65
in CDCl3
liquid film
4880 A,200 M,liquid
