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

View entire compound with spectra: 2 NMR

4-METHYL-(E)-3,6-HEPTADIENE-2,5-DIONE
SpectraBase Compound ID BoUNboT1ADr
InChI InChI=1S/C8H10O2/c1-4-8(10)6(2)5-7(3)9/h4-5H,1H2,2-3H3/b6-5+
InChIKey XXTAZAWTNFNAGD-AATRIKPKSA-N
Mol Weight 138.17 g/mol
Molecular Formula C8H10O2
Exact Mass 138.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNWI7dapvre
Name 4-Methyl-(E)-3,6-heptadien-2,5-dione
CAS Registry Number 91928-33-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H10O2
InChI InChI=1S/C8H10O2/c1-4-8(10)6(2)5-7(3)9/h4-5H,1H2,2-3H3/b6-5+
InChIKey XXTAZAWTNFNAGD-AATRIKPKSA-N
Instrument Name Jeol FX-100
Literature Reference W.F. Goure, M.G. Wright, P.D.Davies, J. Am. Chem. Soc. 106, 6417 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3