Product NameCYCLOPENTANONE-2,2,5,5-D4
CAS3997-89-5
Molecular FormulaC5H4D4O
Molecular Weight88.14
InChIInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i3D2,4D2
InChIKey BGTOWKSIORTVQH-KHORGVISSA-N
SmilesC1([2H])([2H])CCC([2H])([2H])C1=O
Parameter ppm Hz
D(A) 1.894 LIPNICK,R.L. J.MOL.STRUCT. 21, 411 (1974) J(C-13,H):131.39HZ, J(CIS):6.71HZ, J(TRANS):6.71HZ
CYCLOPENTANONE-2,2,5,5-D4(3997-89-5) 1H NMR Atlas of Related Products
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