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cis-Aconitic acid

View entire compound with spectra: 7 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6wIk2LdtAgY
Name cis-Aconitic acid
Source of Sample Aldrich
Catalog Number 271942
CAS Registry Number 585-84-2
Classification Non-aromatic carboxylic acids
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 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
Purity 96%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms cis-Propene-1,2,3-tricarboxylic acid
Technique Mull
Wiley ID SIAL_FTIR_1_5369