For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Chlorogenic acid

View entire compound with spectra: 1 NMR

Chlorogenic acid
SpectraBase Compound ID HCtKfJqQyDL
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)/b4-2+/t11-,12+,14-,16-/m1/s1
InChIKey CWVRJTMFETXNAD-QEPAVKMUSA-N
Mol Weight 354.31 g/mol
Molecular Formula C16H18O9
Exact Mass 354.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KTPh1nKfKiY
Name CHLOROGENIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O9
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)/b4-2+/t11-,12+,14-,16-/m1/s1
InChIKey CWVRJTMFETXNAD-QEPAVKMUSA-N
Literature Reference Author C.E.MCNAMARA,N.B.PERRY,J.M.FOLLETT,G.A.PARMENTER,J.A.DOUGLAS
Literature Reference Citation J.NAT.PROD.,67,1818(2004)
Literature Reference DOI 10.1021/np049868j
Molecular Weight 354.314 g/mol
Solvent CD3OD
Source File Reference UWMZ6698