Product Name3-Methyl-3-cyclopentene-1,2-dione
Molecular FormulaC6H6O2
Molecular Weight110.11064
InChIInChI=1S/C6H6O2/c1-4-2-3-5(7)6(4)8/h2H,3H2,1H3
InChIKey CYYLWVJFANIGPP-UHFFFAOYSA-N
SmilesC1(=O)CC=C(C)C1=O
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Parameter ppm Hz
D(A) 7.72 D(B) 3.03 D(C) 1.80 J(A,B) 2.2 J(A,C) 2.2 J(B,C) 1.9 DEPUY,C.H. ET AL. J.CHEM.ENG.DATA 11, 102 (1966)Spectral Code: 1H NMR : parameter in CCl4