5-TERT-BUTYLPYROGALLOL(20481-17-8) IR1
Product Name5-TERT-BUTYLPYROGALLOL
CAS20481-17-8
Molecular FormulaC10H14O3
Molecular Weight182.22
InChIInChI=1S/C10H14O3/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,1-3H3
InChIKey HCNISNCKPIVZDX-UHFFFAOYSA-N
SmilesC1(O)=CC(C(C)(C)C)=CC(O)=C1O
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MassMS-NW-2008 5-tert-butylpyrogallol C10H14O3 (Mass of molecular ion: 182)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.0 27.0 1.8 28.0 1.2 29.0 1.5 39.0 4.4 41.0 6.5 43.0 2.7 50.0 1.0 51.0 2.8 52.0 1.3 53.0 2.2 55.0 2.2 65.0 2.1 67.0 1.0 69.0 1.0 77.0 3.5 79.0 1.4 81.0 1.4 91.0 3.2 93.0 1.7 103.0 1.6 109.0 3.0 121.0 6.8 123.0 2.0 126.0 2.3 127.0 4.3 135.0 1.2 139.0 11.1 140.0 1.0 149.0 3.6 152.0 1.0 166.0 1.3 167.0 100.0 168.0 10.0 169.0 1.0 182.0 37.5 183.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 O3 0.030 g : 0.5 ml CDCl3 5-tert-butylpyrogallol 
Assign. Shift(ppm)
A 6.517 B 5.02 C 1.241
Hz ppm Int.583.69 6.518 244 449.81 5.023 250 445.88 4.979 33 111.19 1.242 1000 105.69 1.181 39
in CDCl3
KBr disc
