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Product Name2,3-HEXANEDIONE
CAS3848-24-6
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
InChIKey MWVFCEVNXHTDNF-UHFFFAOYSA-N
SmilesCC(=O)C(=O)CCC
1HNMR
IR1
IR2
Raman
parameter in CDCl3
Parameter ppm Hz D(A) 2.726 D(C) 1.619 D(D) 0.946 J(A,C) 7.2 J(A,D) 0.0 J(C,D) 7.4 D(B) 2.332
Hz ppm Int.
825.08 2.750 154 817.89 2.726 320 810.70 2.702 168 699.61 2.332 1000 504.10 1.680 18 496.70 1.656 79 489.44 1.631 159 482.14 1.607 160 474.83 1.583 88 467.55 1.558 21 291.07 0.970 227 283.68 0.946 440 276.28 0.921 192
CCl4 solution
liquid film
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