2,6-Di-tert-butyl-p-benzoquinone(719-22-2) MS
Product Name2,6-Di-tert-butyl-p-benzoquinone
CAS719-22-2
Molecular FormulaC14H20O2
Molecular Weight220.31
InChIInChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChIKey RDQSIADLBQFVMY-UHFFFAOYSA-N
SmilesC1(=O)C(C(C)(C)C)=CC(=O)C=C1C(C)(C)C
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MassMS-NW-6454 2,6-di-tert-butyl-p-benzoquinone C14H20O2 (Mass of molecular ion: 220)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.3 18.0 1.9 27.0 9.5 28.0 2.4 29.0 18.7 38.0 1.1 39.0 19.9 40.0 4.3 41.0 50.9 42.0 2.6 43.0 21.1 50.0 2.2 51.0 7.9 52.0 3.8 53.0 9.0 54.0 1.9 55.0 9.4 56.0 3.5 57.0 36.6 58.0 1.8 63.0 2.4 64.0 1.3 65.0 8.4 66.0 4.2 67.0 33.1 68.0 2.5 69.0 5.4 77.0 8.7 78.0 2.2 79.0 8.1 80.0 2.0 81.0 8.0 82.0 2.3 83.0 2.7 91.0 12.4 92.0 2.2 93.0 7.6 94.0 2.7 95.0 15.7 96.0 1.9 97.0 1.0 103.0 1.9 105.0 7.3 106.0 1.3 107.0 11.7 108.0 3.3 109.0 8.2 110.0 7.2 111.0 2.6 115.0 2.0 117.0 2.9 118.0 1.1 119.0 8.7 120.0 1.8 121.0 13.2 122.0 4.3 123.0 6.8 124.0 1.6 128.0 1.0 129.0 1.3 131.0 2.7 133.0 4.4 134.0 3.1 135.0 35.6 136.0 18.4 137.0 5.2 138.0 4.4 144.0 3.2 145.0 2.1 146.0 1.5 147.0 3.9 148.0 1.3 149.0 30.0 150.0 8.0 151.0 2.1 159.0 10.1 160.0 1.7 161.0 2.7 162.0 5.2 163.0 24.9 164.0 9.3 165.0 4.2 175.0 1.2 176.0 1.2 177.0 100.0 178.0 14.8 179.0 2.1 187.0 2.8 190.0 1.2 191.0 3.3 192.0 14.6 193.0 2.3 205.0 30.3 206.0 4.5 207.0 1.3 220.0 65.7 221.0 10.7 222.0 1.5
parameter in CDCl3
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1H NMR 300 MHz C14 H20 O2 0.050 g : 0.5 ml CDCl3 2,6-di-tert-butyl-p-benzoquinone 
Parameter ppm Hz
D(A) 6.508 D(B) 1.286
Hz ppm Int.1952.40 6.508 111 385.81 1.286 1000
in CDCl3
KBr disc
nujol mull
