3-ETHYLTOLUENE(620-14-4) MS
Product Name3-ETHYLTOLUENE
CAS620-14-4
Molecular FormulaC9H12
Molecular Weight120.19
InChIInChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey ZLCSFXXPPANWQY-UHFFFAOYSA-N
SmilesC1(CC)=CC=CC(C)=C1
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MassMS-NW-0137 m-ethyltoluene C9H12 (Mass of molecular ion: 120)
Source Temperature: 230 °C Sample Temperature: 75 °C Reservoir, 75 eV
27.0 3.3 28.0 1.9 39.0 6.3 41.0 2.3 50.0 1.7 51.0 4.9 52.0 1.6 53.0 1.9 57.5 1.1 58.0 1.6 59.0 2.0 62.0 1.0 63.0 3.4 65.0 5.2 77.0 10.6 78.0 3.6 79.0 7.6 89.0 1.6 91.0 11.1 92.0 3.9 102.0 1.1 103.0 5.9 104.0 2.6 105.0 100.0 106.0 9.2 115.0 2.3 117.0 2.3 119.0 3.8 120.0 32.4 121.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 23.3 mg : 0.5 ml CDCl3 m-ethyltoluene 
Assign. Shift(ppm)
A 7.173 B 7.01 C *1 7.00 D *1 6.99 E 2.609 F 2.329 G 1.225 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2874.76 7.194 62 2867.19 7.175 136 2859.86 7.156 84 2804.93 7.019 140 2804.32 7.017 145 2803.96 7.017 143 2803.34 7.015 145 2802.49 7.013 137 2801.76 7.011 136 2801.15 7.010 123 2800.54 7.008 103 2799.80 7.006 103 2799.32 7.005 112 2798.71 7.003 109 2796.02 6.997 58 2795.41 6.995 63 2794.80 6.994 74 2794.19 6.992 85 2793.58 6.991 88 2792.97 6.989 87 2792.36 6.988 91 2791.75 6.986 93 2790.41 6.983 77 1054.32 2.639 69 1046.75 2.620 202 1039.18 2.601 207 1031.49 2.581 75 930.79 2.330 736 497.07 1.244 493 489.50 1.225 1000 487.06 1.219 40 481.81 1.206 478
in CDCl3
liquid film
