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Chlorogenic acid
SpectraBase Compound ID 4kKwCfb3Wx9
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-JUHZACGLSA-N
Mol Weight 354.31 g/mol
Molecular Formula C16H18O9
Exact Mass 354.095082 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 55DUvbT72Z3
Name 3,4-DIHYDROXYCINNAMIC ACID, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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-JUHZACGLSA-N
Melting Point 208-210C (dec.)
Molecular Weight 354.311005
Synonyms CHLOROGENIC ACID CINNAMIC ACID, 3,4-DIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER QUINIC ACID, 5-CAFFEOYL-,
Technique KBr WAFER