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2-METHYLHEPTA-2,5-DIEN-4-ONE

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2-METHYLHEPTA-2,5-DIEN-4-ONE
SpectraBase Compound ID 9c8Agffb6OM
InChI InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+
InChIKey NDIQNZBBNBMLMR-SNAWJCMRSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MaU8Fun1vk
Name 2-METHYLHEPTA-2,5-DIEN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+
InChIKey NDIQNZBBNBMLMR-SNAWJCMRSA-N
Literature Reference Author R.HOLLENSTEIN,W.VONPHILIPSBORN
Literature Reference Citation HELV.CHIM.ACTA,55,2030(1972)
Literature Reference DOI 10.1002/hlca.19720550622
Molecular Weight 124.183 g/mol
Solvent CDCl3
Source File Reference UNIW11174