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3-CYCLOPENTEN-1-ONE(14320-37-7) 1H NMR
Product Name3-CYCLOPENTEN-1-ONE
CAS14320-37-7
Molecular FormulaC5H6O
Molecular Weight82.1
InChIInChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2
InChIKey KQAVUGAZLAPNJY-UHFFFAOYSA-N
SmilesC1(=O)CC=CC1
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Parameter ppm Hz
D(A) 2.766 D(B) 6.086 J(A,A') 0.0 J(A,A'') -0.71 J(A,A''') -0.36 J(A,B) 2.22 J(A,B') -2.32 J(A',A'') -0.36 J(A',A''') -0.71 J(A',B) 2.22 J(A',B') -2.32 J(A'',A''') 0.0 J(A'',B) -2.32 J(A'',B') 2.22 J(A''',B) -2.32 J(A''',B') 2.22 J(B,B') 7.23 LEMARIE,B. & RIPOLL,J.L. ORG.MAGN.RESON. 10, 169 (1977)Spectral Code: 1H NMR : parameter in neat
