CYCLOPENTANONE-2,2,5,5-D4
Product Name
CYCLOPENTANONE-2,2,5,5-D4
CAS3997-89-5
MFC5H4D4O
MW88.14
InChIInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i3D2,4D2
InChIKeyBGTOWKSIORTVQH-KHORGVISSA-N
SmilesC1([2H])([2H])CCC([2H])([2H])C1=O
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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
Spectral Code: 1H NMR : parameter neat
CYCLOPENTANONE-2,2,5,5-D4(3997-89-5)1HNMR Atlas of Related Products