1,4-DIISOPROPYLBENZENE(100-18-5) 13C NMR
Product Name1,4-DIISOPROPYLBENZENE
CAS100-18-5
Molecular FormulaC12H18
Molecular Weight162.27
InChIInChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChIKey SPPWGCYEYAMHDT-UHFFFAOYSA-N
SmilesC1(C(C)C)=CC=C(C(C)C)C=C1
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MassMS-NW-5715 p-diisopropylbenzene C12H18 (Mass of molecular ion: 162)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.2 39.0 3.7 41.0 9.3 43.0 19.2 50.0 1.1 51.0 3.5 53.0 1.7 55.0 1.4 63.0 1.9 64.0 1.8 65.0 3.5 65.5 1.2 66.0 2.1 77.0 5.5 78.0 2.0 79.0 3.9 91.0 19.2 92.0 1.9 103.0 3.1 104.0 1.7 105.0 21.8 106.0 2.4 115.0 4.0 116.0 2.4 117.0 7.5 118.0 1.7 119.0 30.8 120.0 3.2 127.0 1.0 128.0 2.7 129.0 1.7 131.0 5.0 132.0 4.9 133.0 1.6 145.0 4.9 146.0 1.4 147.0 100.0 148.0 12.4 159.0 1.0 160.0 1.5 162.0 33.1 163.0 4.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H18 0.04 ml : 0.5 ml CDCl3 p-diisopropylbenzene 
Assign. Shift(ppm)
A 7.147 B 2.863 C 1.242
Hz ppm Int.640.13 7.148 933 264.38 2.952 43 257.50 2.876 59 250.50 2.798 51 243.81 2.723 26 114.38 1.278 1000 112.31 1.255 46 109.56 1.224 28 107.50 1.201 863 105.38 1.177 40
in CDCl3
KBr disc
liquid film
