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(3S)-3-METHYLHEXANOL

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(3S)-3-METHYLHEXANOL
SpectraBase Compound ID 5n5vVu5R4Dn
InChI InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey YGZVAQICDGBHMD-ZETCQYMHSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xQmSOe2tXt
Name (3S)-3-METHYLHEXANOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey YGZVAQICDGBHMD-ZETCQYMHSA-N
Literature Reference Author D.R.WILLIAMS,A.L.NOLD,R.J.MULLINS
Literature Reference Citation J.ORG.CHEM.,69,5374(2004)
Literature Reference DOI 10.1021/jo049567e
Molecular Weight 116.203 g/mol
Solvent CDCl3
Source File Reference UWVN22110