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(6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE
SpectraBase Compound ID AJ55Aiv6IgF
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey HVHHZSFNAYSPSA-ZCFIWIBFSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMAjwnmOn9P
Name (6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey HVHHZSFNAYSPSA-ZCFIWIBFSA-N
Literature Reference Author N.HORI,T.HIEDA,Y.MIKAMI
Literature Reference Citation AGR.BIOL.CHEM.,48,123(1984)
Literature Reference DOI 10.1271/bbb1961.48.123
Molecular Weight 154.209 g/mol
Solvent CDCl3
Source File Reference UWIR8510