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Chlorogenic acid, anion

View entire compound with spectra: 1 NMR

Chlorogenic acid, anion
SpectraBase Compound ID 4XAgaT62Pts
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+
InChIKey CWVRJTMFETXNAD-DUXPYHPUSA-M
Mol Weight 353.3 g/mol
Molecular Formula C16H17O9
Exact Mass 353.087257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBYGz1sO5QZ
Name Chlorogenic acid, anion
CAS Registry Number 327-97-9
Comments PH = 4.5, SODIUM SALT
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Formula C16H17O9
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+
InChIKey CWVRJTMFETXNAD-DUXPYHPUSA-M
Literature Reference C.J. Kelley, R.C. Harruff, M. Carmack, J. Org. Chem. 41, 449 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O