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2-HYDROXY-OCT-3,6,7-TRIONE

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2-HYDROXY-OCT-3,6,7-TRIONE
SpectraBase Compound ID A2Gtid7yy1W
InChI InChI=1S/C8H12O4/c1-5(9)7(11)3-4-8(12)6(2)10/h5,9H,3-4H2,1-2H3
InChIKey OGSDAZZJTKNEPK-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2o9rOsSQVo5
Name 2-HYDROXY-OCT-3,6,7-TRIONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-5(9)7(11)3-4-8(12)6(2)10/h5,9H,3-4H2,1-2H3
InChIKey OGSDAZZJTKNEPK-UHFFFAOYSA-N
Literature Reference Author B.S.HENSERSON,B.S.LARSEN,J.M.SCHWAB
Literature Reference Citation J.AM.CHEM.SOC.,116,5025(1994)
Literature Reference DOI 10.1021/ja00091a001
Molecular Weight 172.181 g/mol
Solvent CDCl3
Source File Reference UWSI660