2,5-Di-tert-butylhydroquinone(88-58-4) MS
Product Name2,5-Di-tert-butylhydroquinone
CAS88-58-4
Molecular FormulaC14H22O2
Molecular Weight222.32
InChIInChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey JZODKRWQWUWGCD-UHFFFAOYSA-N
SmilesC1(O)=CC(C(C)(C)C)=C(O)C=C1C(C)(C)C
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MassMS-NW-8128 2,5-di-tert-butylhydroquinone C14H22O2 (Mass of molecular ion: 222)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.1 29.0 2.0 39.0 1.1 41.0 4.9 43.0 5.5 53.0 1.0 55.0 2.1 57.0 16.6 67.0 1.3 69.0 2.3 71.0 4.1 77.0 1.4 79.0 1.1 81.0 2.2 82.0 3.2 91.0 1.8 96.0 1.2 105.0 1.2 107.0 1.0 115.0 1.3 123.0 2.4 137.0 4.1 149.0 1.3 151.0 3.5 163.0 1.7 165.0 1.4 177.0 2.2 179.0 3.0 191.0 2.7 192.0 2.8 207.0 100.0 208.0 14.5 209.0 1.4 222.0 50.7 223.0 7.9
parameter in DMSO-d6
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 300 MHz C14 H22 O2 0.045 g : 0.5 ml DMSO-d6 2,5-di-tert-butylhydroquinone 
Parameter ppm Hz
D(A) 8.36 D(B) 6.60 D(C) 1.294
Hz ppm Int.2507.99 8.360 53 1980.01 6.600 111 388.22 1.294 1000
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1H NMR 399.65 MHz C14 H22 O2 0.045 g : 0.5 ml DMSO-d6 2,5-di-tert-butylhydroquinone Assign. Shift(ppm)
A 8.36 B 6.600 C 1.294
Hz ppm Int.3339.60 8.357 124 2637.82 6.601 147 517.09 1.294 1000
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1H NMR 89.56 MHz C14 H22 O2 0.045 g : 0.5 ml DMSO-d6 2,5-di-tert-butylhydroquinone Assign. Shift(ppm)
A 8.32 B 6.594 C 1.290
Hz ppm Int.745.38 8.323 169 590.56 6.595 126 115.50 1.290 1000
DMSO-d6
KBr disc
