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(3,6-(C-13))-2,7-DIMETHYLOCTA-2,4,6-TRIENE-1,8-DIAL
SpectraBase Compound ID KWJi5kE7RMT
InChI InChI=1S/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3/b4-3+,9-5+,10-6+/i5+1,6+1
InChIKey AYODHZHFDRRQEZ-VNHPMARCSA-N
Mol Weight 166.19 g/mol
Molecular Formula C813C2H12O2
Exact Mass 166.090439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S1h8gaDMm8
Name (3,6-(C-13))-2,7-DIMETHYLOCTA-2,4,6-TRIENE-1,8-DIAL
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813C2H12O2
InChI InChI=1S/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3/b4-3+,9-5+,10-6+/i5+1,6+1
InChIKey AYODHZHFDRRQEZ-VNHPMARCSA-N
Literature Reference Author F.J.H.M.JANSEN,M.KWESTRO,D.SCHMITT,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,113,552(1994)
Literature Reference DOI 10.1002/recl.19941131205
Molecular Weight 166.189 g/mol
Solvent CDCl3
Source File Reference UWCH135