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(2R,4S,5R)-2,4,6-TRIMETHYLHEPTANE-1,5-DIOL
SpectraBase Compound ID JYD3uyw9Wye
InChI InChI=1S/C10H22O2/c1-7(2)10(12)9(4)5-8(3)6-11/h7-12H,5-6H2,1-4H3/t8-,9+,10-/m0/s1
InChIKey POSMSTCLBZDLEH-AEJSXWLSSA-N
Mol Weight 174.28 g/mol
Molecular Formula C10H22O2
Exact Mass 174.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFBD96WUdxY
Name (2R,4S,5R)-2,4,6-TRIMETHYLHEPTANE-1,5-DIOL
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H22O2
InChI InChI=1S/C10H22O2/c1-7(2)10(12)9(4)5-8(3)6-11/h7-12H,5-6H2,1-4H3/t8-,9+,10-/m0/s1
InChIKey POSMSTCLBZDLEH-AEJSXWLSSA-N
Literature Reference Author I.SHIN,H.Q.ZHOU,N.L.S.QUE,H.W.LIU,P.D.SWEDENBORG,R.L.JONES
Literature Reference Citation J.ORG.CHEM.,58,2923(1993)
Literature Reference DOI 10.1021/jo00062a048
Molecular Weight 174.283 g/mol
Solvent CDCl3
Source File Reference UWRK3620