Cumene(98-82-8) IR1
Molecular FormulaC9H12
Molecular Weight120.19
InChIInChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N
SmilesC1(C(C)C)=CC=CC=C1
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MassMS-NW-0138 cumene C9H12 (Mass of molecular ion: 120)
Source Temperature: 210 °C Sample Temperature: 75 °C Reservoir, 75 eV
27.0 3.7 28.0 1.2 39.0 5.6 41.0 3.4 50.0 2.9 51.0 9.3 52.0 2.6 53.0 1.2 63.0 2.4 65.0 2.5 74.0 1.0 76.0 1.0 77.0 13.7 78.0 5.5 79.0 11.9 91.0 5.8 102.0 1.1 103.0 7.4 104.0 2.8 105.0 100.0 106.0 9.0 115.0 1.0 119.0 1.0 120.0 26.6 121.0 2.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 10.6 mol% in CDCl3 cumene 
Assign. Shift(ppm)
A 1.240 B 2.876 C 7.02 to 7.39
Hz ppm Int.651.38 7.274 63 649.69 7.255 111 646.44 7.218 558 644.69 7.199 155 643.75 7.188 120 643.06 7.181 67 642.50 7.174 61 258.06 2.882 57 114.31 1.277 1000 107.44 1.200 862
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1H NMR 399.65 MHz C9 H12 17.5 mg : 0.5 ml CDCl3 cumene Assign. Shift(ppm)
A 7.289 B 7.231 C 7.179 D 2.901 E 1.253
Hz ppm Int.2922.24 7.312 40 2916.50 7.298 34 2915.65 7.296 74 2914.92 7.294 99 2909.42 7.280 37 2907.71 7.276 104 2906.01 7.272 31 2894.41 7.243 91 2893.92 7.242 98 2892.58 7.238 133 2890.63 7.233 35 2890.14 7.232 32 2888.18 7.227 44 2887.33 7.225 38 2886.72 7.224 42 2886.11 7.222 71 2885.50 7.221 69 2884.64 7.218 57 2876.10 7.197 32 2874.76 7.194 43 2867.68 7.176 65 1166.87 2.920 32 1159.91 2.903 44 1152.95 2.885 34 504.39 1.263 1000 502.20 1.257 48 500.61 1.253 32 497.56 1.245 975 495.24 1.240 49
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
