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(E,E)-HEPTA-4,6-DIENOL

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(E,E)-HEPTA-4,6-DIENOL
SpectraBase Compound ID 5rNwPIvcdt1
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-4,8H,1,5-7H2/b4-3+
InChIKey WNWNZFFQYAFLGP-ONEGZZNKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiItrKOXR0f
Name (E,E)-HEPTA-4,6-DIENOL
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-4,8H,1,5-7H2/b4-3+
InChIKey WNWNZFFQYAFLGP-ONEGZZNKSA-N
Literature Reference Author L.C.BAILLIE,A.BATSANOV,J.R.BEARDER,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3471(1998)
Literature Reference DOI 10.1039/a804664f
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWBS745