Benzene-D6 (1076-43-3) IR1
Product NameBenzene-D6
CAS1076-43-3
Molecular FormulaC6D6
Molecular Weight84.15
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChIKey UHOVQNZJYSORNB-MZWXYZOWSA-N
SmilesC1([2H])C([2H])=C(C([2H])=C([2H])C=1[2H])[2H]
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MassMS-NW-4842 benzene-d6 C6D6 (Mass of molecular ion: 84)
Source Temperature: 200 °C Sample Temperature: 180 °C Reservoir, 75 eV
30.0 1.2 38.0 1.4 40.0 2.1 42.0 8.7 50.0 1.1 52.0 8.6 54.0 11.0 56.0 14.3 66.0 2.4 76.0 1.5 80.0 2.0 82.0 8.8 83.0 3.4 84.0 100.0 85.0 6.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 D6 neat benzene-d6 
Assign. Shift(ppm)
A 7.155
Hz ppm Int.
647.69 7.232 33 647.25 7.228 38 640.88 7.156 1000 634.25 7.082 51 633.25 7.071 42 632.94 7.068 41 632.31 7.061 35 631.88 7.056 34 631.19 7.048 33
in CDCl3
liquid film
