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3,3,5-TRIMETHYL-HEXANE-1,4-DIOL

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3,3,5-TRIMETHYL-HEXANE-1,4-DIOL
SpectraBase Compound ID FSpNqwEmWxX
InChI InChI=1S/C9H20O2/c1-7(2)8(11)9(3,4)5-6-10/h7-8,10-11H,5-6H2,1-4H3
InChIKey ADKRLNWJOUUBKZ-UHFFFAOYSA-N
Mol Weight 160.26 g/mol
Molecular Formula C9H20O2
Exact Mass 160.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n0MH8AwRIF
Name 3,3,5-TRIMETHYL-HEXANE-1,4-DIOL
Compound Number 3C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H20O2
InChI InChI=1S/C9H20O2/c1-7(2)8(11)9(3,4)5-6-10/h7-8,10-11H,5-6H2,1-4H3
InChIKey ADKRLNWJOUUBKZ-UHFFFAOYSA-N
Literature Reference Author T.K.HUTTON,K.MUIR,D.J.PROCTER
Literature Reference Citation ORG.LETTERS,4,2345(2002)
Literature Reference DOI 10.1021/ol0260472
Molecular Weight 160.257 g/mol
Solvent CDCl3
Source File Reference UWMZ25303