1,3-Diethylbenzene(141-93-5) 1H NMR
Product Name1,3-Diethylbenzene
CAS141-93-5
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
InChIKey AFZZYIJIWUTJFO-UHFFFAOYSA-N
SmilesC1(CC)=CC=CC(CC)=C1
-
MassMS-NW-3676 m-diethylbenzene C10H14 (Mass of molecular ion: 134)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 5.3 29.0 2.8 39.0 7.3 41.0 5.6 50.0 2.6 51.0 6.4 52.0 2.1 53.0 2.4 57.5 1.4 58.0 1.1 58.5 1.1 62.0 1.2 63.0 4.0 64.0 1.4 65.0 5.4 74.0 1.0 75.0 1.1 77.0 12.1 78.0 5.3 79.0 7.7 89.0 2.3 91.0 19.3 92.0 2.0 93.0 1.8 102.0 1.5 103.0 8.2 104.0 6.5 105.0 95.0 106.0 10.0 115.0 5.5 116.0 1.5 117.0 7.5 118.0 1.5 119.0 100.0 120.0 10.5 133.0 1.6 134.0 49.4 135.0 5.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H14 0.04 ml : 0.5 ml CDCl3 m-diethylbenzene 
Assign. Shift(ppm)
A 7.19 B 7.03 C 7.00 D 2.617 E 1.232
Hz ppm Int.643.69 7.188 58 642.88 7.179 62 637.75 7.121 139 630.31 7.038 297 629.88 7.034 315 627.31 7.005 51 626.69 6.998 38 625.56 6.985 42 625.00 6.979 53 624.44 6.973 44 623.88 6.967 38 622.69 6.953 57 246.38 2.752 67 238.81 2.667 217 231.25 2.583 244 223.69 2.498 94 117.56 1.313 441 110.19 1.231 1000 109.75 1.226 669 102.38 1.144 341
in CDCl3
liquid film
4880 A,200 M,liquid
