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(2S)-2-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXANE-1,4-DIONE
SpectraBase Compound ID BDdWfraiI4y
InChI InChI=1S/C9H14O3/c1-8(2)4-6(10)5-9(3,12)7(8)11/h12H,4-5H2,1-3H3/t9-/m0/s1
InChIKey MNRBKVVWNKRFFF-VIFPVBQESA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtuoLDUJc9c
Name (2S)-2-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXANE-1,4-DIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(2)4-6(10)5-9(3,12)7(8)11/h12H,4-5H2,1-3H3/t9-/m0/s1
InChIKey MNRBKVVWNKRFFF-VIFPVBQESA-N
Literature Reference Author Y.YAMAZAKI,Y.HAYASHI,N.HORI,Y.MIKAMI
Literature Reference Citation AGR.BIOL.CHEM.,52,2919(1988)
Literature Reference DOI 10.1271/bbb1961.52.2919
Molecular Weight 170.208 g/mol
Solvent CDCl3
Source File Reference UWIR8002