4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8) 13C NMR
Product Name4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE
CAS1073-13-8
Molecular FormulaC8H12O
Molecular Weight124.18
InChIInChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKey HAUNPYVLVAIUOO-UHFFFAOYSA-N
SmilesC1(=O)CCC(C)(C)C=C1
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Assign. Shift(ppm)
A 6.659 B 5.836 C 2.455 D 1.873 E 1.169 Assigned with HMQC and HMBC.Spectral Code: 1H NMR : in CDCl3
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ppm Int. Assign.
199.61 95 1 159.85 297 2 126.86 380 3 36.11 375 4 34.40 442 5 32.83 156 6 27.71 1000 7 Assigned with HMQC and HMBC.Spectral Code: 13C NMR : in CDCl3
Liquid film
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Spectral Code: ESR : ANION RADICAL, RED. WITH K IN LIQ. NH3, -60C
