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5-HYDROXY-2,2,5-TRIMETHYL-3-HEXANONE
SpectraBase Compound ID JUdMpJTokou
InChI InChI=1S/C9H18O2/c1-8(2,3)7(10)6-9(4,5)11/h11H,6H2,1-5H3
InChIKey KWRSZLJIANZKIX-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fvf2hgwOnv
Name 5-HYDROXY-2,2,5-TRIMETHYL-[5-(13)C]-3-HEXANONE
Compound Number [5-(13)C]-20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-8(2,3)7(10)6-9(4,5)11/h11H,6H2,1-5H3
InChIKey KWRSZLJIANZKIX-UHFFFAOYSA-N
Literature Reference Author A.S.VELLEKOOP,R.A.J.SMITH
Literature Reference Citation J.AM.CHEM.SOC.,116,2902(1994)
Literature Reference DOI 10.1021/ja00086a023
Molecular Weight 158.241 g/mol
Solvent CDCl3
Source File Reference UWSI3764