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4-METHYLTROPONE;4-METHYL-CYCLOHEPTA-2,4,6-TRIENONE

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4-METHYLTROPONE;4-METHYL-CYCLOHEPTA-2,4,6-TRIENONE
SpectraBase Compound ID 70Q6XhnWH1e
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H3
InChIKey CLXWZFLIMLBJIS-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAqpucW1ewd
Name 4-METHYLTROPONE;4-METHYL-CYCLOHEPTA-2,4,6-TRIENONE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H3
InChIKey CLXWZFLIMLBJIS-UHFFFAOYSA-N
Literature Reference Author S.SENDELBACH,R.SCHWETZLER-RASCHKE,A.RADL,R.KAISER,G.H.HENLE, H.KORFANT,S.REINER,B
Literature Reference Citation J.ORG.CHEM.,64,3398(1999)
Literature Reference DOI 10.1021/jo972037g
Molecular Weight 120.151 g/mol
Sample ID 39770
Solvent CDCl3