3,5-DIMETHYLCYCLOHEXANONE(2320-30-1) IR1
Molecular FormulaC8H14O
Molecular Weight126.2
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3
InChIKey MSANHHHQJYQEOK-UHFFFAOYSA-N
SmilesC1(=O)CC(C)CC(C)C1
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ppm Int. Assign.
211.21 303 1
49.28 861 2
42.66 448 3
33.20 1000 4
22.37 746 5
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid