Chlorogenic acid(327-97-9) 1H NMR
Product NameChlorogenic acid
CAS327-97-9
Molecular FormulaC16H18O9
Molecular Weight354.31
InChIInChI=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)/t11-,12-,14-,16+/m1/s1
InChIKey CWVRJTMFETXNAD-NCZKRNLISA-N
Smiles[C@]1(O)(C(O)=O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)C=CC2=CC=C(O)C(O)=C2)C1
