4-ETHYLTOLUENE(622-96-8) MS
Product Name4-ETHYLTOLUENE
CAS622-96-8
Molecular FormulaC9H12
Molecular Weight120.19
InChIInChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey JRLPEMVDPFPYPJ-UHFFFAOYSA-N
SmilesC1(CC)=CC=C(C)C=C1
-
MassMS-NW-3453 p-ethyltoluene C9H12 (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.4 39.0 4.8 41.0 1.5 50.0 1.8 51.0 4.1 52.0 1.3 53.0 1.6 58.0 1.1 59.0 1.4 62.0 1.1 63.0 2.8 65.0 4.0 77.0 8.6 78.0 3.1 79.0 5.7 89.0 1.3 91.0 8.8 92.0 1.8 102.0 1.0 103.0 5.6 104.0 2.8 105.0 100.0 106.0 9.0 115.0 2.1 117.0 2.3 119.0 3.3 120.0 28.7 121.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H12 0.04 ml : 0.5 ml CDCl3 p-ethyltoluene 
Assign. Shift(ppm)
A 7.08 B 2.59 C 2.303 D 1.215
Hz ppm Int.633.69 7.076 1000 244.38 2.729 37 236.69 2.643 126 229.13 2.559 142 221.69 2.476 55 206.25 2.303 638 115.81 1.294 193 108.38 1.211 362 100.69 1.125 149
-
1H NMR 399.65 MHz C9 H12 20.5 mg : 0.5 ml CDCl3 p-ethyltoluene Assign. Shift(ppm)
A 7.22 to 6.960 B 2.606 C 2.313 D 1.216
Hz ppm Int.2834.23 7.092 1000 1052.86 2.635 47 1045.29 2.616 137 1037.72 2.597 139 1030.15 2.578 49 924.56 2.314 578 493.65 1.236 246 486.08 1.217 485 478.39 1.198 233
in CDCl3
liquid film
4880 A,200 M,liquid
