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4-[2-(OCTADECYLOXY)-ETHYL]-BENZENE-1,2-DIOL
SpectraBase Compound ID Lm10zizUck4
InChI InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-22-20-24-18-19-25(27)26(28)23-24/h18-19,23,27-28H,2-17,20-22H2,1H3
InChIKey KPVMHLRNBWCHTL-UHFFFAOYSA-N
Mol Weight 406.7 g/mol
Molecular Formula C26H46O3
Exact Mass 406.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmEsr15jGGb
Name 4-[2-(OCTADECYLOXY)-ETHYL]-BENZENE-1,2-DIOL
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H46O3
InChI InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-22-20-24-18-19-25(27)26(28)23-24/h18-19,23,27-28H,2-17,20-22H2,1H3
InChIKey KPVMHLRNBWCHTL-UHFFFAOYSA-N
Literature Reference Author A.MADRONA,G.PEREIRA-CARO,R.MATEOS,G.RODRIGUEZ,M.TRUJILLO,J.F ERNANDEZ-BOLANOS,J.
Literature Reference Citation MOLECULES,14,1762(2009)
Literature Reference DOI 10.3390/molecules14051762
Molecular Weight 406.649 g/mol
Sample ID 69460
Solvent DMSO-D6