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(3-E)-6-METHYL-5-(2-METHOXYMETHYLOXYETHYL)-3,6-HEPTADIEN-2-ONE
SpectraBase Compound ID JcJrhDPwffF
InChI InChI=1S/C12H20O3/c1-10(2)12(6-5-11(3)13)7-8-15-9-14-4/h5-6,12H,1,7-9H2,2-4H3/b6-5+/t12-/m1/s1
InChIKey WKZAGLMBUHGQQJ-BTDICHCPSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUFrkgJ4EzM
Name (3-E)-6-METHYL-5-(2-METHOXYMETHYLOXYETHYL)-3,6-HEPTADIEN-2-ONE
Compound Number XII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-10(2)12(6-5-11(3)13)7-8-15-9-14-4/h5-6,12H,1,7-9H2,2-4H3/b6-5+/t12-/m1/s1
InChIKey WKZAGLMBUHGQQJ-BTDICHCPSA-N
Literature Reference Author F.A.GIMALOVA-AKBUTINA,I.F.SADRETDINOV,L.V.SPIRIKHIN,M.S.MIFT AKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1234(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010207.63528.f6
Molecular Weight 212.289 g/mol
Solvent CDCl3
Source File Reference UWMZ23499