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4-METHYL-(E,E)-3,6-OCTADIENE-2,5-DIONE

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4-METHYL-(E,E)-3,6-OCTADIENE-2,5-DIONE
SpectraBase Compound ID 7Zw8CK0b8hE
InChI InChI=1S/C9H12O2/c1-4-5-9(11)7(2)6-8(3)10/h4-6H,1-3H3/b5-4+,7-6+
InChIKey UTTIWFTULPSDAP-YTXTXJHMSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwBgvwKjdMm
Name 4-METHYL-(E,E)-3,6-OCTADIENE-2,5-DIONE
Source of Sample W. F. Goure, M. G. Wright, P. D. Davies J. Amer. Chem. Soc. 106, 6417(1984)
CAS Registry Number 91897-78-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-4-5-9(11)7(2)6-8(3)10/h4-6H,1-3H3/b5-4+,7-6+
InChIKey UTTIWFTULPSDAP-YTXTXJHMSA-N
Molecular Weight 152.19
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms 3,6-OCTADIENE-2,5-DIONE, 4-METHYL-, /E,E/-,