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Chlorogenic acid

View entire compound with spectra: 12 NMR, 5 FTIR, 2 UV-Vis, and 1 MS (GC)

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 2NgfkMLVV03
Name Chlorogenic acid
Source of Sample Aldrich
Catalog Number C44206
CAS Registry Number 327-97-9
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate) 3-(3,4-Dihydroxycinnamoyl)quinic acid
Technique Mull
Wiley ID SIAL_FTIR_1_9185