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(2E,5E)-5,6,7,7-TETRAMETHYLOCTA-2,5-DIEN-4-ONE

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(2E,5E)-5,6,7,7-TETRAMETHYLOCTA-2,5-DIEN-4-ONE
SpectraBase Compound ID 9ti3sI2LVnu
InChI InChI=1S/C12H20O/c1-7-8-11(13)9(2)10(3)12(4,5)6/h7-8H,1-6H3/b8-7+,10-9+
InChIKey KXMQJBRDJIHRIR-XBLVEGMJSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHG6M2lqMeQ
Name (2E,5E)-5,6,7,7-TETRAMETHYLOCTA-2,5-DIEN-4-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-7-8-11(13)9(2)10(3)12(4,5)6/h7-8H,1-6H3/b8-7+,10-9+
InChIKey KXMQJBRDJIHRIR-XBLVEGMJSA-N
Literature Reference Author P.KRAFT,C.DENIS,W.EICHENBERGER
Literature Reference Citation EUR.J.ORG.CHEM.,2363(2001)
Molecular Weight 180.290 g/mol
Solvent CDCl3
Source File Reference UWPA1406