2,4-DIISOPROPYLPHENOL(2934-05-6) MS
Product Name2,4-DIISOPROPYLPHENOL
CAS2934-05-6
Molecular FormulaC12H18O
Molecular Weight178.27
InChIInChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
InChIKey KEUMBYCOWGLRBQ-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C)C)C=C1C(C)C
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MassMS-IW-3810 2,4-diisopropylphenol C12H18O (Mass of molecular ion: 178)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.4 39.0 2.0 41.0 3.7 43.0 7.4 51.0 2.1 53.0 1.1 63.0 1.0 65.0 1.9 67.0 1.0 73.5 1.2 74.0 3.8 77.0 4.9 79.0 1.3 91.0 5.0 93.0 1.0 103.0 4.3 105.0 1.6 107.0 6.3 115.0 3.2 117.0 1.9 119.0 1.1 121.0 12.6 122.0 1.1 128.0 2.2 129.0 1.5 130.0 1.3 133.0 1.1 135.0 7.7 141.0 1.2 145.0 1.0 147.0 3.5 148.0 1.0 149.0 1.0 163.0 100.0 164.0 12.3 170.0 2.6 178.0 22.5 179.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H18 O 0.05 ml : 0.5 ml CDCl3 2,4-diisopropylphenol 
Assign. Shift(ppm)
A 7.042 B 6.899 C 6.637 D 4.92 E 3.189 F 2.828 G 1.244 J 1.212
Hz ppm Int.2815.43 7.045 147 2813.23 7.040 165 2762.70 6.913 88 2760.38 6.907 85 2754.52 6.893 103 2752.20 6.887 101 2656.25 6.647 211 2648.07 6.626 187 1967.41 4.923 274 1281.62 3.207 68 1274.78 3.190 93 1267.82 3.173 72 1260.99 3.156 31 1137.45 2.847 64 1130.49 2.829 88 1123.66 2.812 69 506.84 1.269 34 500.73 1.253 906 493.90 1.236 925 487.79 1.221 985 480.83 1.204 1000 475.10 1.189 60 470.83 1.179 38
in CDCl3
liquid film
