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Caffeic acid

View entire compound with spectra: 25 NMR, 3 FTIR, 1 UV-Vis, and 9 MS (GC)

Caffeic acid
SpectraBase Compound ID EId8scFWYs0
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1L9piQZlCdz
Name Caffeic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D110809
CAS Registry Number 331-39-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,4-Dihydroxybenzeneacrylic acid 3,4-Dihydroxycinnamic acid 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
Wiley ID SIAL_13CNMR_011317