Pyrogallol(87-66-1) IR1
Product NamePyrogallol
CAS87-66-1
Molecular FormulaC6H6O3
Molecular Weight126.11
InChIInChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey WQGWDDDVZFFDIG-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(O)=C1O
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MassMS-NW-1772 pyrogallol C6H6O3 (Mass of molecular ion: 126)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 4.3 26.0 2.7 27.0 2.9 28.0 3.6 29.0 4.7 37.0 3.3 38.0 4.9 39.0 11.0 40.0 2.4 41.0 2.1 42.0 3.0 43.0 1.3 49.0 1.6 50.0 6.3 51.0 23.6 52.0 43.5 53.0 8.4 54.0 4.6 55.0 3.5 63.0 4.8 66.0 1.0 68.0 2.3 69.0 1.1 77.0 1.0 79.0 11.9 80.0 35.1 81.0 2.2 97.0 9.5 107.0 3.7 108.0 30.0 109.0 2.0 125.0 4.7 126.0 100.0 127.0 6.7
90 MHz in D2O
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1H NMR 89.56 MHz C6 H6 O3 0.043 g : 0.5 ml D2O pyrogallol 
Assign. Shift(ppm)
A 6.750 B 6.601 SOLVENT PEAK REMOVRD
Hz ppm Int.615.88 6.877 93 610.06 6.812 138 606.19 6.769 256 600.38 6.704 516 593.56 6.628 1000 592.81 6.620 769 587.00 6.555 395 583.81 6.519 244
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
