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3-Hexanone
SpectraBase Compound ID KClms6SMC3Y
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20NOPb0gcwa
Name 3-HEXANONE
CAS Registry Number 589-38-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
Literature Reference Author C.DELSETH,J.P.KINTZINGER
Literature Reference Citation HELV.CHIM.ACTA,59,466(1976)
Literature Reference DOI 10.1002/hlca.19760590213
Solvent Unknown
Source File Reference UNIO62