1,3-DIISOPROPENYLBENZENE(3748-13-8) IR1
Product Name1,3-DIISOPROPENYLBENZENE
CAS3748-13-8
Molecular FormulaC12H14
Molecular Weight158.24
InChIInChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3
InChIKey IBVPVTPPYGGAEL-UHFFFAOYSA-N
SmilesC1(C(C)=C)=CC=CC(C(C)=C)=C1
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MassMS-NW-9783 m-diisopropenylbenzene C12H14 (Mass of molecular ion: 158)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 5.5 32.0 1.4 39.0 2.8 41.0 2.6 51.0 2.8 63.0 2.3 64.0 2.3 65.0 2.5 75.0 1.0 76.0 1.5 77.0 3.9 78.0 2.4 79.0 1.1 89.0 1.4 91.0 4.2 102.0 1.6 103.0 4.0 115.0 12.9 116.0 3.5 117.0 14.1 118.0 13.0 119.0 1.3 127.0 5.2 128.0 26.1 129.0 9.0 130.0 1.6 131.0 1.3 141.0 5.5 142.0 5.7 143.0 27.4 144.0 3.5 157.0 3.3 158.0 100.0 159.0 13.6 160.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H14 0.05 ml : 0.5 ml CDCl3 m-diisopropenylbenzene 
Assign. Shift(ppm)
A 7.545 B 7.343 C 7.260 D 5.360 E 5.076 F 2.147 J(D,E)=1.6HZ J(D,F)=-0.9HZ J(E,F)=-1.5HZ
Hz ppm Int.3016.97 7.550 100 3015.14 7.545 192 3013.67 7.541 120 2940.92 7.359 116 2939.82 7.356 142 2939.21 7.355 138 2937.99 7.352 133 2932.50 7.338 226 2930.66 7.334 242 2907.59 7.276 139 2907.10 7.275 148 2900.76 7.259 103 2900.39 7.258 107 2899.05 7.254 94 2898.56 7.253 93 2892.21 7.237 66 2891.85 7.236 68 2143.07 5.363 244 2142.21 5.361 321 2141.48 5.359 346 2140.63 5.357 310 2031.37 5.083 88 2029.79 5.079 261 2028.32 5.076 378 2026.73 5.072 298 2025.27 5.068 110 858.64 2.149 666 857.79 2.147 768 857.06 2.145 870 856.20 2.143 1000
in CDCl3
liquid film
