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3,5-Heptanedione
SpectraBase Compound ID 3JfWCWMP3DA
InChI InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-
InChIKey TVXLKVCZEAYIOO-WAYWQWQTSA-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 Fpd65iwNBMF
Name 5-HYDROXY-3-OXO-4-HEPTENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-
InChIKey TVXLKVCZEAYIOO-WAYWQWQTSA-N
Literature Reference Author S.BOLVIG,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,34,467(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199606)34:6<467::aid-omr906>3.3.co;2-c
Molecular Weight 128.171 g/mol
Solvent CDCl3
Source File Reference UWRK3896