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3-OXOCANON

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-OXOCANON
SpectraBase Compound ID GFu7b0ky2q9
InChI InChI=1S/C7H12O2/c8-7-4-2-1-3-5-9-6-7/h1-6H2
InChIKey JNDCCAGMQAHZNT-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFzmNQY3iRI
Name 3-OXOCANON
CAS Registry Number 20888-52-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c8-7-4-2-1-3-5-9-6-7/h1-6H2
InChIKey JNDCCAGMQAHZNT-UHFFFAOYSA-N
Literature Reference Author H.MEIER,E.STAVRIDOU,S.ROTH,W.MAYER
Literature Reference Citation CHEM.BER.,123,1411(1990)
Literature Reference DOI 10.1002/cber.19901230634
Molecular Weight 128.171 g/mol
Solvent CDCl3
Source File Reference UWED14047