Pinacol(76-09-5) IR3
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChIKey IVDFJHOHABJVEH-UHFFFAOYSA-N
SmilesCC(C)(O)C(C)(O)C
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MassMS-NW-4673 pinacol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.9 18.0 2.0 27.0 2.1 29.0 5.4 31.0 9.8 39.0 3.6 41.0 13.3 42.0 2.4 43.0 18.4 55.0 1.6 57.0 19.6 58.0 2.7 59.0 100.0 60.0 3.4 67.0 1.2 83.0 1.9 85.0 11.3 101.0 1.1 103.0 1.8
parameter in CDCl3
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1H NMR 300 MHz C6 H14 O2 0.042 g : 0.5 ml CDCl3 pinacol 
Parameter ppm Hz
D(A) 2.40 D(B) 1.231
Hz ppm Int.720.60 2.402 167 369.30 1.231 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
