产品名称 氘代苯
CAS号1076-43-3
分子式C6D6
分子量84.15
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChIKeyUHOVQNZJYSORNB-MZWXYZOWSA-N
SmilesC1([2H])C([2H])=C(C([2H])=C([2H])C=1[2H])[2H]
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Mass
MS-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
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
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