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PH(CH2)5COONA;SODIUM-OMEGA-PHENYLHEXANOATE
SpectraBase Compound ID 7X7Ob3GrX3Z
InChI InChI=1S/C12H16O2.Na/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14);/q;+1/p-1
InChIKey XOOXPUYSFVRKMX-UHFFFAOYSA-M
Mol Weight 214.24 g/mol
Molecular Formula C12H15NaO2
Exact Mass 214.096974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E38xhys20Kg
Name PH(CH2)5COONA;SODIUM-OMEGA-PHENYLHEXANOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NaO2
InChI InChI=1S/C12H16O2.Na/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14);/q;+1/p-1
InChIKey XOOXPUYSFVRKMX-UHFFFAOYSA-M
Literature Reference Author M.SZAFRAN,Z.DEGA-SZAFRAN,A.KATRUSIAK,G.BUCZAK,T.GLOWIAK,J.SI TKOWSKI,L.STEFANIAK
Literature Reference Citation J.ORG.CHEM.,63,2898(1998)
Literature Reference DOI 10.1021/jo9720694
Molecular Weight 214.240 g/mol
Sample ID 37134
Solvent D2O