ACETONE-D6(666-52-4) IR1
Product NameACETONE-D6
CAS666-52-4
Molecular FormulaC3D6O
Molecular Weight64.12
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChIKey CSCPPACGZOOCGX-WFGJKAKNSA-N
SmilesC([2H])([2H])([2H])C(=O)C([2H])([2H])[2H]
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MassMS2008-03703CW acetone-d6 C3D6O (Mass of molecular ion: 64)
Source Temperature: 250 °C Sample Temperature: 200 °C Reservoir, 70 eV
16.0 1.2 18.0 8.0 30.0 3.0 38.0 1.1 40.0 1.5 42.0 3.5 44.0 5.0 45.0 2.1 46.0 100.0 47.0 2.2 62.0 1.4 63.0 1.4 64.0 39.8 65.0 1.3
Neat
90 MHz neat
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1H NMR 89.56 MHz C3 D6 O neat acetone-d6 
Assign. Shift(ppm)
A 2.052 J(H-2,H(A))=-2.2HZ
Hz ppm Int.190.00 2.122 50 188.25 2.102 359 186.00 2.077 701 183.81 2.053 1000 181.56 2.028 690 179.44 2.004 354
Neat
in CDCl3
Liquid film
