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SODIUM-8-HYDROXY-8-(2-PENTYLOXYPYRIDIN-3-YL)-OCTANOATE

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SODIUM-8-HYDROXY-8-(2-PENTYLOXYPYRIDIN-3-YL)-OCTANOATE
SpectraBase Compound ID K3semc2utW9
InChI InChI=1S/C18H29NO4.Na/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22;/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22);/q;+1/p-1
InChIKey ITJHMNXIQGBICM-UHFFFAOYSA-M
Mol Weight 345.41 g/mol
Molecular Formula C18H28NNaO4
Exact Mass 345.191603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ytY2TeLl09
Name SODIUM-8-HYDROXY-8-(2-PENTYLOXYPYRIDIN-3-YL)-OCTANOATE
Compound Number 52
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28NNaO4
InChI InChI=1S/C18H29NO4.Na/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22;/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22);/q;+1/p-1
InChIKey ITJHMNXIQGBICM-UHFFFAOYSA-M
Literature Reference Author F.CAIJO,P.MOSSET,R.GREE,V.AUDINOT-BOUCHEZ,J.BOUTIN,P.RENARD, D.H.CAIGNARD,C.DACQU
Literature Reference Citation EUR.J.ORG.CHEM.,2181(2006)
Literature Reference DOI 10.1002/ejoc.200500918
Molecular Weight 345.414 g/mol
Sample ID 46638
Solvent DMSO