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(3R,5S,9S)-3,5,9-TRIETHYL-7-METHYLTRIDECA-1,6,10-TRIENE-3,5-DIOL
SpectraBase Compound ID 20GeCXGASsW
InChI InChI=1S/C20H36O2/c1-7-12-13-18(8-2)14-17(6)15-20(22,11-5)16-19(21,9-3)10-4/h9,12-13,15,18,21-22H,3,7-8,10-11,14,16H2,1-2,4-6H3/b13-12+,17-15+/t18-,19+,20-/m0/s1
InChIKey RNKZHRNTBMJZED-SVDMWEQPSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XtrL5wxyrc
Name (3R,5S,9S)-3,5,9-TRIETHYL-7-METHYLTRIDECA-1,6,10-TRIENE-3,5-DIOL
Compound Number S-14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-7-12-13-18(8-2)14-17(6)15-20(22,11-5)16-19(21,9-3)10-4/h9,12-13,15,18,21-22H,3,7-8,10-11,14,16H2,1-2,4-6H3/b13-12+,17-15+/t18-,19+,20-/m0/s1
InChIKey RNKZHRNTBMJZED-SVDMWEQPSA-N
Literature Reference Author M.F.SEMMELHACK,R.J.HOOLEY,C.M.KRAML
Literature Reference Citation ORG.LETTERS,8,5203(2006)
Literature Reference DOI 10.1021/ol0618656
Molecular Weight 308.505 g/mol
Sample ID 61887
Solvent C6D6