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cis-Aconitic acid
SpectraBase Compound ID GATRc7ZoLhj
InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
Mol Weight 174.11 g/mol
Molecular Formula C6H6O6
Exact Mass 174.016438 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xmznIiON6s
Name (1Z)-1-Propene-1,2,3-tricarboxylic acid
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 585-84-2
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O6
InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
Melting Point 126-129C (dec.)
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms (1Z)-1,2,3-Propenetricarboxylic acid; cis-Aconitic acid