4,6-Di-tert-butyl-m-cresol(497-39-2) MS
Product Name4,6-Di-tert-butyl-m-cresol
CAS497-39-2
Molecular FormulaC15H24O
Molecular Weight220.35
InChIInChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3
InChIKey WYSSJDOPILWQDC-UHFFFAOYSA-N
SmilesC1(O)=CC(C)=C(C(C)(C)C)C=C1C(C)(C)C
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MassMS-NW-5189 4,6-di-tert-butyl-m-cresol C15H24O (Mass of molecular ion: 220)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.3 18.0 2.3 27.0 8.6 28.0 1.7 29.0 19.6 31.0 5.0 38.0 1.3 39.0 17.7 40.0 5.3 41.0 35.3 42.0 1.6 43.0 9.6 50.0 1.5 51.0 5.2 52.0 2.0 53.0 5.5 55.0 6.0 56.0 1.9 57.0 73.5 58.0 3.3 59.0 11.2 63.0 2.2 64.0 1.3 65.0 5.1 66.0 2.2 67.0 7.3 68.0 1.9 69.0 2.0 73.0 1.1 77.0 6.9 78.0 1.8 79.0 6.1 80.0 2.1 81.0 4.5 91.0 11.1 92.0 1.8 93.0 2.1 95.0 3.0 103.0 1.9 105.0 4.9 107.0 5.7 108.0 4.2 109.0 2.5 115.0 4.5 116.0 2.1 117.0 2.5 119.0 2.3 121.0 7.6 122.0 2.0 123.0 1.4 127.0 1.1 128.0 2.6 129.0 2.4 130.0 1.0 131.0 2.5 133.0 2.4 135.0 8.9 136.0 2.1 137.0 1.4 141.0 1.4 142.0 1.2 145.0 1.7 147.0 2.0 148.0 1.0 149.0 10.8 150.0 3.4 153.0 1.2 157.0 1.0 161.0 2.4 163.0 6.7 164.0 1.3 165.0 2.4 175.0 1.6 177.0 4.1 178.0 4.9 180.0 1.4 189.0 3.4 205.0 100.0 206.0 15.8 207.0 1.7 220.0 22.3 221.0 3.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H24 O 0.048 g : 0.5 ml CDCl3 4,6-di-tert-butyl-m-cresol 
Assign. Shift(ppm)
A 7.26 B 6.42 C 4.8 D 2.42 E *1 1.39 F *1 1.38
Hz ppm Int.650.13 7.260 54 575.50 6.426 45 575.13 6.422 46 216.69 2.420 170 126.81 1.416 57 124.81 1.394 898 123.44 1.379 1000 119.50 1.335 65
in CDCl3
liquid film
