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1-(5-PHENYLPENTANOYL)-2,6-CYCLOHEXANEDIONE
SpectraBase Compound ID IBKDGGsEdoq
InChI InChI=1S/C17H20O3/c18-14(17-15(19)11-6-12-16(17)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,19H,4-6,9-12H2
InChIKey ULWDKMJZQQVSLI-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3msQJyCs6XO
Name 1-(5-PHENYLPENTANOYL)-2,6-CYCLOHEXANEDIONE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c18-14(17-15(19)11-6-12-16(17)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,19H,4-6,9-12H2
InChIKey ULWDKMJZQQVSLI-UHFFFAOYSA-N
Literature Reference Author E.E.D.A.BLUMENTHAL,M.S.D.SILVA,M.YOSHIDA
Literature Reference Citation PHYTOCHEM.,46,745(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00199-4
Molecular Weight 272.344 g/mol
Sample ID 40690
Solvent CDCl3