4-ISOPROPYL-3-METHYLPHENOL(3228-02-2) 13C NMR
Product Name4-ISOPROPYL-3-METHYLPHENOL
CAS3228-02-2
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
InChIKey IJALWSVNUBBQRA-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C)C)C(C)=C1
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MassMS-NW-6150 4-isopropyl-3-methylphenol C10H14O (Mass of molecular ion: 150)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.8 39.0 5.0 41.0 3.4 50.0 1.0 51.0 3.1 52.0 1.1 53.0 2.0 55.0 1.6 63.0 1.5 65.0 2.9 65.5 1.4 66.0 2.8 66.5 3.4 67.0 1.0 77.0 5.5 78.0 1.4 79.0 4.3 91.0 12.2 92.0 1.6 103.0 1.0 105.0 3.6 107.0 5.6 108.0 1.1 109.0 1.1 115.0 3.9 116.0 1.1 117.0 5.4 120.0 1.9 121.0 1.9 133.0 2.1 134.0 1.5 135.0 100.0 136.0 10.3 150.0 33.7 151.0 3.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 O 16.3 mg : 0.5 ml CDCl3 4-isopropyl-3-methylphenol 
Assign. Shift(ppm)
A 7.095 B 6.656 C 6.624 D 4.8 E 3.055 F 2.280 G 1.187
Hz ppm Int.2840.09 7.107 84 2831.79 7.086 93 2666.14 6.672 31 2665.65 6.670 40 2665.04 6.669 31 2663.33 6.665 45 2662.84 6.663 56 2657.35 6.650 33 2655.03 6.644 47 2654.54 6.643 58 2648.44 6.627 99 2645.63 6.620 66 1227.91 3.073 40 1220.95 3.056 54 1214.11 3.038 42 911.25 2.281 513 477.91 1.196 1000 475.71 1.191 49 471.07 1.179 946 468.87 1.174 49
in CDCl3
KBr disc
nujol mull
